Carlo Mealli's Publications List

Half-Bonds in an Unusual Coordinates S4 2- Rectangle

2009-09-15T05:51:52Z

The bonding of a rare S4 2- rectangle coordinated to four transition metals (synthesized by Isobe, Nishioka, and co-workers), [{M2(h5-C5Me5)2(m-CH2)2}2(m-S4)]2 (M=Rh, Ir) is analyzed. DFT calculations indicate that, while experiment gives the rectangle coordinated with its long edge parallel to Rh-h bonds and perpendicular to the Ir-Ir bonds, either orientation is feasible for both metals. Althoug...

Anne Poduska, Roald Hoffmann, Andrea Ienco, Carlo Meall (2009) Asian Chemistry Journal 4: 302-313

An Overview of the Electronic Structure in Trigonal Bipyramidal Clusters of Main Elements or Mixed with Transition Metals

2009-09-15T05:26:27Z

Equatorial/apical bond repartitioning in TBP clusters, formed by main group elements only (e.g., B5H5 2−, B3H3N2, etc.) or mixed with metal atoms (e.g., [(L2M)3S2] n , [(L3M)3S2] n , [(CpM)3S2] n ), is critically analyzed from the horizontal comparison of the experimental structures and in terms of basic MO concepts. The ideas are double-checked through specific DFT calculations or existi...

Mealli, C.; Messaoudi, A.; Ienco, A. (2009) Theoretical Chemical Accounts 123: 365-373

A Bonding Quandary – or – a Demonstration of the Fact that Scientists are not Born with Logic

2009-09-15T05:35:25Z

We document here a spirited debate among three colleagues and friends who have strong opinions on a specific bonding problem, the presence or absence of a cross-ring sulfur–sulfur bond in a trinuclear Cu3S2 cluster. The example may seem esoteric, but through their struggles with this specific bond (and with each other) the authors approach the more general problematic of chemistry, the chemical ...

Santiago Alvarez.; Roald Hoffmann.; Carlo Mealli. (2009) Chemistry an European Journal 15: 8358-8373

Is 2.07 Å a Record for the Shortest Pt-S Distance? Revision of Two Reported X-ray Structures

2009-09-15T05:41:45Z

The comparison of the very similar compounds (Ph3P)2Pt(μ-S)2Pt(PPh3)2 (1) and (Ph2PyP)2Pt(μ-S)2Pt(PPh2Py)2 (2) raises intriguing questions about the reliability of the reported Pt2S2 core in 1, where the Pt-S bonds are the shortest ever reported. Also, the trans-annular S · · · S separation of 2.69 Å is surprisingly shorter in 1 than in 2 (3.01 Å), but no incipient coupling between two S2- ...

Andrea Ienco; Maria Caporali; Fabrizio Zanobini; Carlo Mealli (2009) Inorganic Chemistry 48: 3840-3847

Dynamic behaviour of the [(triphos)Rh(eta(1):eta(2)-P4RR ')](n+) complexes [triphos = MeC(CH2PPh2)(3); R = H, alkyl, aryl; R ' = lone pair, H, Me; n=0, 1] : NMR and computational studies

2009-06-03T07:39:45Z

Solution multinuclear and multidimensional NMR analyses of the [(triphos)Rh(eta(1):eta(2)-P4RR')](n+) complex cations [triphos = MeC(CH2PPh2)(3); R = H, Me, Ph; R' = lone pair, H, Me; n = 0, 1] confirm the same primary structure determined by X-rays in the solid state. In addition, 2D H-1 NOESY and P-31{H-1} exchange NMR spectroscopy show that these complexes are nonrigid on the NMR time-scale ove...

P Barbaro, M Caporali, A Ienco, C Mealli, M Peruzzini, F Vizza (2008) European Journal of Inorganic Chemistry ://000254555300005 : 9 1392-1399

S-4(2-) rings, disulfides, and sulfides in transition-metal complexes : The subtle interplay of oxidation and structure

2009-06-03T07:39:45Z

C Mealli, A Ienco, A Poduska, R Hoffmann (2008) Angewandte Chemie-International Edition ://000254885200029 47: 15 2864-2868

Parallel disulfido bridges in bi- and poly-nuclear transition metal compounds : Bonding flexibility induced by redox chemistry

2009-06-03T07:39:45Z

We recently studied an elongated S-4(2-) rectangle bridging transition metals such as Ir, Rh, Cu, or Fe and found that its formation is related to the oxidation of parallel S-2(2-) molecules. The removal of two electrons can occur either externally or by an internal metal-ligand redox process that implies depopulation of the high-lying S-4 sigma(*) MO and population of a lower metal level. Thus, t...

C Mealli, A Ienco, A Messaoudi, A Poduska, R Hoffmann (2008) Inorganica Chimica Acta ://000258394200041 361: 12-13 3631-3637

Ab initio molecular dynamics of heme in cytochrome c

2009-06-03T07:39:45Z

Ab initio molecular dynamics (AIMD) calculations, based on the Car-Parrinello method, have been carried out for three models of heme c that is present in cytochrome c. Both the reduced (Fe(II)) and oxidized (Fe(III)) forms have been analyzed. The simplest models (1R and 1O, respectively) consist of a unsubstituted porphyrin (with no side chains) and two axially coordinated imidazole and ethylmethy...

S Furlan, G La Penna, L Banci, C Mealli (2007) Journal of Physical Chemistry B ://000243889800028 111: 5 1157-1164

Thiodiacetate and oxydiacetate cobalt complexes : Synthesis, structure and stereochemical features

2009-06-03T07:39:45Z

A series of cobalt complexes containing the dianionic ligands X(CH,COO)(2) 2- (X = S, tda; or X = O, oda) is reported. The complexes [Co(tda)(bipy)(H2O)center dot-4H(2)O (2), which was characterised by X-ray crystallography, [Co(tda)(phen)(H2O)] (3), [Co(tda){(MeO)(2)bipy}(H2O)]-2H(2)O (4) and [Co(tda)(dpp)(H2O)]center dot 2H(2)O (5) are obtained by reaction of the precursor complex [Co(tda)(H2O)]...

A Grirrane, A Pastor, E Alvarez, C Mealli, A Ienco, P Rosa, A Galindo (2007) European Journal of Inorganic Chemistry ://000248713500014 : 22 3543-3552

Electronic influence of the thienyl sulfur atom on the oligomerization of ethylene by cobalt(II) 6-(thienyl)-2-(imino)pyridine catalysis

2009-06-03T07:39:45Z

The position of the sulfur atom in the thienyl group of 6-(thienyl)-2-(imino)pyridine ligands strongly affects the catalytic activity of the corresponding tetrahedral high-spin dihalide Co-II complexes in the oligomerization of ethylene to alpha-olefins upon activation with methylaluminoxane (MAO). Complexes with the sulfur atom in the 3-position of the thienyl ring catalyze the selective conversi...

C Bianchini, D Gatteschi, G Giambastiani, I G Rios, A Ienco, F Laschi, C Mealli, A Meli, L Sorace, A Toti, F Vizza (2007) Organometallics ://000243577000035 26: 3 726-739

Integration of electron density and molecular orbital techniques to reveal questionable bonds : The test case of the direct Fe-Fe bond in Fe-2(CO)(9)

2009-06-03T07:39:45Z

The article illustrates the advantages of partitioning the total electron density rho(r(b)), its Laplacian del(2)rho(r(b)), and the energy density H(rb) in terms of orbital components. By calculating the contributions of the mathematically constructed molecular orbitals to the measurable electron density, it is possible to quantify the bonding or antibonding character of each MO. This strategy is ...

J Reinhold, O Kluge, C Mealli (2007) Inorganic Chemistry ://000248757200046 46: 17 7142-7147

Selective ruthenium-catalyzed transformations of enynes with diazoalkanes into alkenylbicyclo[3.1.0]hexanes

2009-06-03T07:39:45Z

Reaction of a variety of CCH bond-containing 1,6-enynes with N2CHSiMe3 in the presence of RuCl(COD)Cp* as catalyst precursor leads, at room temperature, to the general formation of alkenylbicyclo[3.1.0]hexanes with high Z-stereoselectivity of the alkenyl group and cis arrangement of the alkenyl group and an initial double-bond substituent, for an E-configuration of this double bond. The stereochem...

F Monnier, C Vovard-Le Bray, D Castillo, V Aubert, S Derien, P H Dixneuf, L Toupet, A Ienco, C Mealli (2007) Journal of the American Chemical Society ://000246180200054 129: 18 6037-6049

Models for the hydrogenases put the focus where it should be-hydrogen

2009-06-03T07:39:45Z

C Mealli, T B Rauchfuss (2007) Angewandte Chemie-International Edition ://000251576400002 46: 47 8942-8944

A critical review of electronic effects in enediamido and alpha-dfimino complexes of the group 4 metals

2009-06-03T07:39:45Z

The alpha-diimino chelating ligand 1,4-diaza-1,3-butadiene, or its dianionic enediamido form (generically defined as DAD), forms a variety of complexes with group 4 transition metals either with or without other co-ligands. The known species are either pseudo -octahedral [L4M(DAD)] or tetracoordinate [L2M(DAD)] with a lower degree of metal saturation in the latter case. Additionally, there are a n...

C Mealli, A Ienco, A D Phillips, A Galindo (2007) European Journal of Inorganic Chemistry ://000247937300007 : 18 2556-2568

Novel results on thiodiacetate zinc(II) complexes : Synthesis and structure of [Zn(tda)(phen)](2) center dot 5H(2)O

2009-06-03T07:39:45Z

Novel zinc thiodiacetate complex [Zn(tda)(H2O)](n) (1) (tda = S(CH2COO)(2)(2-)) was obtained from the reaction of aqueous solutions of 2 zinc dichloride with a 1: 1 mixture of Na2CO3 and thiodiacetic acid. Complex 1 is a different hydrate compound with respect to the known species [Zn(tda)(H2O)(3)] center dot H2O. The selective formation of 1 or [Zn(tda)(H2O)(3)] center dot H2O can be achieved by ...

A Grirrane, A Pastor, E Alvarez, C Mealli, A Ienco, A Galindo (2006) Inorganic Chemistry Communications ://000235269100009 9: 2 160-163

A counterintuitive structural effect of metal-metal bond protonation and its electronic underpinnings

2009-06-03T07:39:45Z

Protonation across the metal-metal bond in the complexes [(CO)(2)M(mu-dppm)(mu-PtBu2)(mu-H)-M(CO)(2)] (M=Fe or Ru, dppm= Ph2PCH2PPh2) induces M-M bond shortening of up to about 0.05 angstrom. DFT calculations on simplified iron models reproduce this trend well. Conversely, the computations show that the M-M distance in the dimer [{Cp*Ir(CO)}(2)] lengthens with two consecutive protonations, but the...

A D Phillips, A Ienco, J Reinhold, H C Bottcher, C Mealli (2006) Chemistry-a European Journal ://000238263900023 12: 17 4691-4701

Experimental and computational studies on the solvent-controlled cluster isomerism of Ru-3(H)(CO)(9)(NPPh3) and related dynamics

2009-06-03T07:39:45Z

The species Ru-3(H)(mu(3)-NPPh3)(CO)(9) occurs in the solid state as two isomers, characterized either by one capping hydride and three CO bridges (1a) or by one bridging hydride and all terminals COs (1b); key intermediates for the formation, fluxionality and solvent-dependent interconversion of the isomers are highlighted through a DFT MO analysis.

R Pattacini, G Predieri, A Tiripicchio, C Mealli, A D Phillips (2006) Chemical Communications ://000237022700024 : 14 1527-1529

Formation and characterization of the hexanuclear platinum cluster [Pt-6(mu PBu2t)(4)(CO)(6)](CF3SO3)(2) through structural, electrochemical, and computational analyses

2009-06-03T07:39:45Z

The reaction between equimolar amounts of Pt-3(mu-PBu'(2))3(H)(CO)(2), Pt3H, and CF3SO3H under CO atmosphere affords the triangular species [Pt-3(mu-PBu'(2))(3)(CO)(3)]X, [Pt-3(CO)(3)(+)]X (X = CF3SO3-), characterized by X-ray crystallography, or in an excess of acid, [Pt-6(mu-PBu'(2))(4)(CO)(6)]X-2, [Pt-6(2+)]X-2. Structural determination shows the latter to be a rare hexanuclear cluster with a P...

F F de Biani, A Ienco, F Laschi, P Leoni, F Marchetti, L Marchetti, C Mealli, P Zanello (2005) Journal of the American Chemical Society ://000227479600065 127: 9 3076-3089

Thiodiacetate cobalt(II) complexes : Synthesis, structure and properties

2009-06-03T07:39:45Z

The novel cobalt thiodiacetate complex [Co(tda)(H2O)](n), (1a) (tda = S(CH2COO)(2)(2-)) was synthesized from the reaction of aqueous solutions of cobalt dichloride with a 1: 1 mixture of Na2CO3 and thiodiacetic acid. A second isomer was also obtained occasionally and identified as complex [Co(tda)(H2O)(3)] (1b). The reaction of 1a with 2,2'-bipyridine (bipy) gave compound [Co(tda)(bipy)(H2O)] &BUL...

A Grirrane, A Pastor, E Alvarez, C Mealli, A Ienco, D Masi, A Galindo (2005) Inorganic Chemistry Communications ://000228951900012 8: 5 463-466

Integrated experimental, spectroscopic and theoretical aspects of inorganic chemistry

2009-06-03T07:39:45Z

C Mealli (2005) Comptes Rendus Chimie ://000232484200001 8: 9-10 1351-1352

Supramolecular interactions as determining factors of the geometry of metallic building blocks : Tetracarboxylate dimanganese species

2009-06-03T07:39:45Z

A Grirrane, A Pastor, A Galindo, D del Rio, A Orlandini, C Mealli, A Ienco, A Caneschi, J F Sanz (2005) Angewandte Chemie-International Edition ://000229549100013 44: 22 3429-3432

Nonclassical vs classical metal center dot center dot center dot H3C-C interactions : Accurate characterization of a 14-electron Ruthenium(II) system by neutron diffraction, database analysis, solution dynamics, and DFT studies

2009-06-03T07:39:45Z

A neutron diffraction study of the complex RuCl2[PPh2(2,6-Me2C6H3)](2) (1) defines the precise nature of the delta agostic interactions between the unsaturated metal center and two o-methyl groups of the xylyl substituents. The CH3 carbon atoms lie in the RuP2 equatorial plane with Ru...C distances of 2.637(7) and 2.668(6) Angstrom, whereas four short Ru...H distances (from 2.113(11) to 2.507(11) ...

W Baratta, C Mealli, E Herdtweck, A Ienco, S A Mason, P Rigo (2004) Journal of the American Chemical Society ://000221135400041 126: 17 5549-5562

Structural and electronic rearrangements upon the oxidation of binuclear (Ru-2) and trinuclear (MoRu2) complexes with bridging o-phenylenediamido ligands

2009-06-03T07:39:45Z

The redox capabilities of some binuclear and trinuclear ruthenium complexes with bridging o-phenylendiamido ligands, C6H4(NH)(2)-o, have been investigated. The known species [Ru-2{mu-C6H4(NH)(2)-o}(mu-dppm)(CO)(2)(PPh3)(2)] (1) and [Ru2Mo{mu-C6H4(NH)(2)-o}(2)(CO)(6)(PPh3)(2)] (5), reacted with [Fe(Cp)(2)](PF6), yield the salts [Ru-2{mu-C6H4(NH)(2)-o(mu-dppm)(CO)(2)(PPh3)(2)](PF6)(2) (2) and [Ru2Mo...

A Anillo, M R Diaz, S Garcia-Granda, R Obeso-Rosete, A Galindo, A Ienco, C Mealli (2004) Organometallics ://000188533800025 23: 3 471-481

Electronic factors affecting second-order NLO properties : Case study of four different push-pull bis-dithiolene nickel complexes

2009-06-03T07:39:45Z

The paper presents a detailed experimental and theoretical study of the four mixed nickel-bisdithiolene complexes [Ni(Pr(2)(i)pipdt)(dmit)] (1b, Pr(2)(i)pipdt = 1,4-diisopropyl-piperazine-3,2-dithione; dmit = 1,3-dithiolo-2-tione-4,5-dithiolato), [Ni(R(2)pipdt)(mnt)] (2b", R = 2-ethylhexyl; mnt = maleonitriledithiolato), [Ni(Pr(2)(i)timdt)(dmit)] (3b, Pr(2)(i)timdt = 1,3-diisopropyl-imidazoline-2,...

S Curreli, P Deplano, C Faulmann, A Ienco, C Mealli, M L Mercuri, L Pilia, G Pintus, A Serpe, E F Trogu (2004) Inorganic Chemistry ://000223190300044 43: 16 5069-5079

Synthesis, structure, magnetic and electrochemical properties of an oxydiacetate iron(II) complex

2009-06-03T07:39:45Z

Compound [(Fe(oda)(H2O)(2)} . H2O](n) (1) [oda = O(CH2COO)(2)(2-)] has been obtained by reaction of FeCl2 . 4H(2)O with a 1:1 mixture of O(CH2COOH)(2) and Na2CO3 in water. The structure is polymeric with concatenated {Fe(oda)(H2O)(2)} units extended in one direction. Each iron centre is six-coordinated by the tridentate planar oda ligand, two mutually trans water molecules and one oda oxygen atom ...

A Grirrane, A Pastor, C Mealli, A Ienco, P Rosa, R Prado-Gotor, A Galindo (2004) Inorganica Chimica Acta ://000225452100019 357: 14 4215-4219

Folded 2,5-diazapent-3-ene metallacycle in ene-diamido group 4 metal compounds : DFT and AIM analyses

2009-06-03T07:39:45Z

Mononuclear complexes, which contain a dianionic ene-diamido ligand bound to a group 4 metal atom in the formal do configuration, are analyzed by the DFT method to interpret the electronic origin of the folding at the five-membered 2,5-diazapent-3-ene metallacycle moiety. Geometry optimizations were carried out for the following models, TiCl2[o-(Me3SiN)(2)C6H4], Ti(OPh)(2)(DAD), CpTiCI(DAD), CpTiM...

A Galindo, D del Rio, C Mealli, A Ienco, C Bo (2004) Journal of Organometallic Chemistry ://000223459700001 689: 18 2847-2852

Activation of molecular hydrogen over a binuclear complex with Rh2S2 core : DFT calculations and NMR mechanistic studies

2009-06-03T07:39:45Z

The dicationic complex [(triphos)Rh(mu-S)(2)Rh(triphos)](2+), 1 (modeled as 1 c) [triphos = CH3C(CH2PPh2)(3)], is known to activate two dihydrogen molecules and produce the bis(mu-hydrosulfido) product [(triphos)(H)Rh(mu-SH)(2)Rh(H)(triphos)](2+), 2 (modeled as 2b), from which 1 is reversibly obtained. The possible steps of the process have been investigated with DFT calculations. It has been foun...

A Ienco, M J Calhorda, J Reinhold, F Reineri, C Bianchini, M Peruzzini, F Vizza, C Mealli (2004) Journal of the American Chemical Society ://000224103900048 126: 38 11954-11965

Manganese oxydiacetate complexes : Synthesis, structure and magnetic properties

2009-06-03T07:39:45Z

The aerobic aqueous solution syntheses and structures of monomeric and polymeric Mn-II complexes containing the oxydiacetate ligand [O(CH2COO)(2)(2-)= oda] are reported. The magnetic properties of the polymeric products have also been investigated. The initially obtained species [{Mn(oda)(H2O)}(H2O)-H-.](n) (1) has been reacted with bidentate or tridentate N-donor ligands such as o-phenanthroline ...

A Grirrane, A Pastor, E Alvarez, C Mealli, A Ienco, P Rosa, F Montilla, A Galindo (2004) European Journal of Inorganic Chemistry ://000189312100005 : 4 707-717

Structural and electronic features of Group 8 metal complexes containing one alpha-diiminobenzene chelate ligand

2009-06-03T07:39:45Z

Known complexes of general formula LnM(diim), where diim = C6H4(NH)(2)-o, alpha-diiminobenzene, n = 3, 4 and M is a metal of Group 8 (Ru(II), in particular) are analyzed in terms of their electronic structure and associated energetics. The newly synthesized compound [(CO)(2)(PPh3)BrRu(C6H4(NH)(2)-o)]Br, 1, is a new member of the category. This is confirmed by the X-ray structure of 1 that is prese...

A Anillo, S Garcia-Granda, R Obeso-Rosete, A Galindo, A Ienco, C Mealli (2003) Inorganica Chimica Acta ://000184093300067 350: 557-567

Synthesis, molecular structure and properties of oxo-vanadium(IV) complexes containing the oxydiacetate ligand

2009-06-03T07:39:45Z

The complex [V(O)(oda)(H2O)(2)] 1 [oda = O(CH2COO-)(2)] has been obtained by reaction of aqueous solutions of [V(O)(acac)(2)] with oxydiacetic acid. The coordination geometry around the vanadium in 1 is distorted octahedral with mutually trans water ligands and a planar conformation of the oda ligand ( mer). The relative stability of the experimentally determined structure and that of the alternat...

D del Rio, A Galindo, R Vicente, C Mealli, A Ienco, D Masi (2003) Dalton Transactions ://000182316100023 : 9 1813-1820

Activation and functionalization of white phosphorus at rhodium : Experimental and computational analysis of the [(triphos)Rh (eta(1):eta(2)-P4RR ')]Y complexes (triphos = MeC(CH2PPh2)(3); R = H, alkyl, aryl; R '=2 electrons, H, Me)

2009-06-03T07:39:45Z

Thermal reaction of white phosphorus with [(triphos)RhH3] (1) in THF affords [(triphos)Rh(eta(1):eta(2)-P4H)] (2), triphos = MeC(CH2PPh2)(3). Similar complexes [(triphos)Rh(eta(1):eta(2)-P4R)] (R = Me (7), Et (8), Ph (9)) also form at lower temperature by the reaction of P-4 and [(triphos)Rh(R)(eta(2)-C2H4)] with elimination of ethene. In contrast, a double-insertion process follows the reaction o...

P Barbaro, A Ienco, C Mealli, M Peruzzini, O J Scherer, G Schmitt, F Vizza, G Wolmershauser (2003) Chemistry-a European Journal ://000186592100006 9: 21 5195-5210

First example of a tetra-carboxylate bridged dimanganese species

2009-06-03T07:39:45Z

The compound [Mn(tda)(bipy)] (tda = S(CH2COO)(2)(2-)) features the first structurally characterized tetra-carboxylate dimanganese antiferromagnetic system with 'copper acetate' core; the binuclear units, completed by bipyridine chelates, are doubly chained by the tda anions that adopt an unprecedented coordination mode.

A Grirrane, A Pastor, A Galindo, A Ienco, C Mealli, P Rosa (2003) Chemical Communications ://000181302800028 : 4 512-513

Trimethylsilyl-substituted ligands as solubilizers of metal complexes in supercritical carbon dioxide

2009-06-03T07:39:45Z

The SiMe3 group (TMS), introduced as a substituent at the cyclopentadienyl ligand, is found to magnify the solubility of the corresponding metal complexes in supercritical carbon dioxide (scCO(2)). This is verified from comparative solubility measurements of the species (eta(5)-Me-3 SiC5H4)MoO2 Cl, 1a, (eta(5)-Me3SiC5H4)(2)ZrCl2, 2a, and (eta(5)-Me3SiC5H4)Co(CO)I-2.0.5(I-2), 3a (newly synthesised)...

F Montilla, V Rosa, C Prevett, T Aviles, M N da Ponte, D Masi, C Mealli (2003) Dalton Transactions ://000183177900017 : 11 2170-2176

Effects of the bridging ligands on the molecular and electronic structure of Fe-2(CO)(9) derivatives

2009-06-03T07:39:45Z

This article reviews the structural and electronic properties of Fe-2(CO)(9) derivatives with any triad of sigma donor and pi acceptor bridges selected from the series CO, CH2, CF2, SiMe2, GeMe2, InMe and CS. Based on the available structural data and computational results, the bridges other than CO can be catalogued in two different groups. The ligands of group I feature a pivotal carbon atom suc...

J Reinhold, A Barthel, C Mealli (2003) Coordination Chemistry Reviews ://000182957600018 238: 333-346

Different complexation properties of some hydroxy keto heterocycles toward beryllium(II) in aqueous solutions : Experimental and theoretical studies

2009-06-03T07:39:45Z

Four heterocycles containing hydroxy and keto functionalities have been tested as chelating agents of beryllium(II). These are in the order (i) 3-hydroxy-2-methyl-4H-pyran-4-one (maltol, Hma), (ii) 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (kojic acid, Hka), (iii) 3-hydroxy- 1,2-dimethyl-4-pyridinone (Hdpp), (iv) 1-(3-hydroxy-2-furanyl)ethanone (isomaltol, Hima). Although the skeletons of the fir...

F Cecconi, C A Ghilardi, A Ienco, P Mariani, C Mealli, S Midollini, A Orlandini, A Vacca (2002) Inorganic Chemistry ://000176973400027 41: 15 4006-4017

Palladium-arene interactions in catalytic intermediates : An experimental and theoretical investigation of the soft rearrangement between eta(1) and eta(2) coordination modes

2009-06-03T07:39:45Z

A series of dichloro-bridged arylbicycloheptylpalladium complexes have been synthesized and characterized by means of NMR spectroscopy. The compound [(C16H19)PdCl](2).CH2Cl2 with ortho and para methyl substituents at the arene has been characterized by means of X-ray diffraction techniques. The C-ipso atom of the arene lies almost at the fourth planar coordination site of the metal [Pd-C-ipso = 2....

M Catellani, C Mealli, E Motti, P Paoli, E Perez-Carreno, P S Pregosin (2002) Journal of the American Chemical Society ://000175088600044 124: 16 4336-4346

Structural and electronic features of o-phenylenediamido complexes of group 6 metals in different oxidation states

2009-06-03T07:39:45Z

Reported complexes of general formula L4M(phenylenediamido-o), where M is a metal of group 6 in various oxidation states (VI, IV, H and 0), are analyzed. The possible structural deviations from the most symmetric pseudo-octahedral structure (the one with the, chelate in the equatorial plane) are evaluated, case by case, in view of their electronic origin. The analysis is based on systematic DFT ca...

A Galindo, A Ienco, C Mealli (2002) Comments on Inorganic Chemistry ://000182662000002 23: 6 401-416

Reaction of [Pt{Fe(CO)(3)(NO)}(2)(PhCN)(2)] with diphenyl(2-pyridyl)phosphine selenide. Crystal structure of [(CO)(3)Fe(mu(3)-Se) {Pt(CO)P(2-C5H4N)Ph-2}(2)] and its theoretical study

2009-06-03T07:39:45Z

The reaction between the linear trinuclear complex [Pt{Fe(CO)(3)(NO)}(2)(PhCN)(2)] and Ph-2(2-C5H4N)PSe led to the isolation and characterization of the 46-electron cluster [(CO)(3)Fe(mu(3)-Se){Pt(CO)P(2-C5H4N)Ph-2}(2)] (1), whose structure has been determined by X-ray diffraction methods. The cluster typology, which consists of an open triangle Pt-Fe-Pt capped by a mu(3)-Se atom, is rather rare. ...

C Graiff, A Ienco, C Massera, C Mealli, G Predieri, A Tiripicchio, F Ugozzoli (2002) Inorganica Chimica Acta ://000174665300014 330: 95-102

Synthesis and structure of the first transition metal complex with methanesulfonylhydrazine as a ligand

2009-06-03T07:39:45Z

The article reports the first transition metal complex of methanesulfonylhydrazine, a molecule known for important pharmacological and chemical applications. The complex [ZnCl2(MSH)(2)], MSH = CH3SO2NHNH2, has been synthesized and its structure characterized by means of Xray analysis. The coordination geometry is pseudo-tetrahedral and the ligand MSH adopts a conformation that was found by previou...

A Ienco, C Mealli, N I Dodoff (2002) Zeitschrift Fur Naturforschung Section B-a Journal of Chemical Sciences ://000177728200004 57: 8 865-867

Unprecedented eta(1)-P-basal coordination of P4X3 molecules (X = S, Se). An experimental and theoretical study of the apical vs basal complexation dichotomy

2009-06-03T07:39:45Z

Reaction of [(triphos)Re(CO)(2)(OTf)] (1) [triphos = MeC(CH2PPh2)3; OTf = OSO2CF3] with P4S3 and P4Se3 yields pairs of coordination isomers, namely, [(triphos)Re(CO)(2){eta(1)-P-apical-P4X3}](+) (X = S, 2; Se, 5) and [(triphos)Re(CO)(2){eta(1)-P-basai-P4X3}](1) (X = S, 3; Se, 6). The latter represent the first examples of the eta(1)-P-basal, coordination achieved by the P4X3 molecular cage. Furthe...

E Guidoboni, I de los Rios, A Ienco, L Marvelli, C Mealli, A Romerosa, R Rossi, M Peruzzini (2002) Inorganic Chemistry ://000174003700011 41: 4 659-668

Synthesis and molecular structure of oxydiacetate complexes of nickel(II) and cobalt(II). Theoretical analysis of the planar and non-planar conformations of oxydiacetate ligand and oxydiacetic acid

2009-06-03T07:39:45Z

A novel synthetic route to [Ni(oda)(H2O) 3].1.5H(2)O 1 and [Co(oda)(H2O)(2)].H2O 2 [oda = oxydiacetate, O(CH2CO2-)(2)] is presented. These complexes react with bidentate N-donor ligands to yield compounds of general formula [M(oda) ( N-N)(H2O)] (M = Ni, N-N = bipy, 3; phen, 5; tmeda, 7. M = Co, N-N = bipy, 4; phen, 6; tmeda, 8), which can be isolated as crystalline solids with different numbers of...

A Grirrane, A Pastor, A Ienco, C Mealli, A Galindo (2002) Journal of the Chemical Society-Dalton Transactions ://000178348500019 : 19 3771-3777

Alkylindium(I) vs carbon monoxide bridges in binuclear iron carbonyl complexes : A theoretical study

2009-06-03T07:39:45Z

Polynuclear iron carbonyl complexes have been prepared only recently, in, which bridging carbonyl ligands were replaced by isolobal monoalkylindium groups. A theoretical analysis of the compounds (CO)(3)Fe-(mu -CO)(3-x)(mu -InCH3)(x)Fe(CO)(3) (x = 0, 1, 2, 3) shows the specific influence of a stepwise substitution of CO by Rln-(I) fragments on their electronic, structural, and bonding properties. ...

A Barthel, C Mealli, W Uhl, J Reinhold (2001) Organometallics ://000167135000030 20: 4 786-789

Preparation, spectroscopic properties, and crystal structures of Fe-2(CO)(6)(mu-CO)(mu-CF2)(2), Fe-2(CO)(6)(mu-CO)(2)(mu-CF2), and Fe-2(CO)(6)(mu-CF2)(PPh3)(2) - Theoretical studies of methylenic vs. carbonyl bridges in diiron complexes

2009-06-03T07:39:45Z

The reaction of Na-2[Fe(CO)(4)] with Br2CF2 in n-pentane generates a mixture of the compounds (CO)(3)Fe(mu -CO)(3-n)(mu -CF2)(n)Fe(CO)(3) (2, n = 2; 3, n = 1) in low yields with 3 as the main product. 3 is obtained free from 2 by reacting Br2CF2 with Na-2[Fe-2(CO)(8)]. The non-isolable monomeric complex (CO)(4)Fe=CF2 (1) can probably considered as the precursor for 2. 3 reacts with PPh3 with repla...

W Petz, F Weller, A Barthel, C Mealli, J Reinhold (2001) Zeitschrift Fur Anorganische Und Allgemeine Chemie ://000170291000023 627: 8 1859-1869

Theoretical analysis of bonding and stereochemical trends in doubly bridged copper(I)-copper(I) dimers

2009-06-03T07:39:45Z

BFT/B3LYP calculations on known and hypothetical doubly bridged Cu(I)-Cu(I) dimers and other d(10)-d(10) analogues have been carried out. The bridging ligands may he only a donors (hydrides) or have added pi -donor (halides) or pi -acceptor (carbonyls, as get unknown) capabilities. In particular, the few reported LnCu(mu -C drop CR)(2)CuLm frameworks have been investigated, The latter are symmetri...

C Mealli, Ssmc Godinho, M J Calhorda (2001) Organometallics ://000168445800005 20: 9 1734-1742

Nature of the metal-carbon contacts in end-diamido d(0) metal complexes

2009-06-03T07:39:45Z

Folding of ene-diamido chelates in d(0) metal complexes is generally attributed to a saturating pi interaction of the metal with the central C=C linkage. A MO analysis of selected models (DFT and EHMO levels) shows that the latter interaction is negligible (negative M-C overlap populations). Moreover, a detailed analysis of the orbital interactions highlights a two-electron how from filled p, orbi...

A Galindo, A Ienco, C Mealli (2000) New Journal of Chemistry ://000085695900006 24: 2 73-75

Synthesis, antiapoptotic biological activity and structure of an oxo-vanadium(IV) complex with an OOO ligand donor set

2009-06-03T07:39:45Z

The oxo-vanadium(IV) complex VO(oda) (H2O)(2) (I) (oda = oxydiacetate, O(CH2COO-)(2)) was obtained by reaction of aerobic aqueous solutions of VO(acac)(2) with oxydiacetic acid, O(CH2COOH)(2). The antiapoptotic biological activity of I was studied in insulin-producing cells. Chemically generated nitric oxide (NO) triggers apoptotic events, such as the appearance of oligonucleosomes in cytosol, and...

D del Rio, A Galindo, J Tejedo, F J Bedoya, A Ienco, C Mealli (2000) Inorganic Chemistry Communications ://000084612800010 3: 1 32-34

Synthesis and structure of the cluster ion pair {Ru-3(CO)(9)[mu-P(NPr2i)(2)](3)}{Ru-6(CO)(15)(mu(6)-C)[mu-P(NPr2i)(2)]}. A theoretical overview of M-3(mu-PR2)(3) frameworks

2009-06-03T07:39:45Z

The compound {Ru-3(CO)(9)[mu-P(NPr2i)(2)](3)}{Ru-6(CO)(15)(mu(6)-C)[mu-P(NPr2i)(2)]} (1), Obtained via the addition of PCl-(NPr2i)(2) to K-2[Ru-4(CO)(13)], crystallizes in the monoclinic space group P2(1)/c with a = 15.537(8) Angstrom, b = 36.151(16) Angstrom, c = 19.407(5) Angstrom, beta = 91.14(2)degrees, Z = 4, and R = 0.069 for 8006 observed reflections. The unit cell is unusual in that it con...

W B Wang, P J Low, A J Carty, E Sappa, G Gervasio, C Mealli, A Ienco, E Perez-Carreno (2000) Inorganic Chemistry ://000085791600018 39: 5 998-1005

The crystal structure and spectroscopic characterization of 1-(N-ethyl-1-sulphonate-4-pyridinio)-2-[N-methylpyrrol-2-yl]ethene

2009-06-03T07:39:45Z

The X-ray structure of 1-(N-ethyl-1-sulphonate-4-pyridinio)-2-[N-methylpyrrol-2-yl]ethene . H2O is reported. The molecule belongs to the spatial group P2(1)/n with unit cell constants a=6.841(5), b=21.259(5), c=10.195(5), beta=110.262(15)degrees. The compound was characterized by means of UV-vis and steady-state fluorescence spectroscopies. In the visible region the powder shows a blue shift of th...

A Ienco, R Ricceri, C Mealli (2000) Molecular Crystals and Liquid Crystals ://000089195400020 339: 261-269

Pt as mediator of strong antiferromagnetic coupling between two Cu-II ions in a heteronuclear (CuPtCuII)-Pt-II-Cu-II complex of the model nucleobase 1-methylcytosinate

2009-06-03T07:39:45Z

The tetrakis(1-methylcytosine) complex [Pt(1-MeC-N-3)(4)](NO3)(2) (1) in its head-tail-head-tail (htht) rotamer form binds upon deprotonation of the exocyclic amino group of 1-MeC, two Cu-II at either side of the central Pt-n to give trinuclear cations [Pt(1-MeC-)(4)Cu2X2](n+) (2) with X = Cl-, H2O, NSC-, N-3(-). X-ray crystal structure analyses of [Pt(1-MeC-)(4)Cu-2(Cl)(1.6)(H2O)(0.4-). 1.6H(2)O ...

A Hegmans, E Zangrando, E Freisinger, F Pichierri, L Randaccio, C Mealli, M Gerdan, A X Trautwein, B Lippert (1999) Chemistry-a European Journal ://000083059400027 5: 10 3010-3018

Structure and bonding of diiodine adducts of the sulfur-rich donors 1,3-dithiacyclohexane-2-thione (ptc) and 4,5-ethylenedithio-1,3-dithiole-2-thione (ttb)

2009-06-03T07:39:45Z

The reactions of I-2 with ptc and ttb (title ligands) have been investigated in CHCl3 solution at different temperatures by spectrophotometry. A least-squares method procedure provided evidence for the formation of the 1:1 adducts. Crystals of the latter have been analyzed by X-ray diffraction methods (both monoclinic, P2(1)/c; ptc.I-2, a = 8.691(6) Angstrom, b = 9.010(6) Angstrom, c = 13.237(5) A...

F Bigoli, P Deplano, A Ienco, C Mealli, M L Mercuri, M A Pellinghelli, G Pintus, G Saba, E F Trogu (1999) Inorganic Chemistry ://000083257300004 38: 21 4626-4636

Molecular structures of M-2(CO)(9) and M-3(CO)(12) (M = Fe, Ru, Os) : New theoretical insights

2009-06-03T07:39:45Z

A different number of bridging carbonyls is found in bi- or trinuclear clusters having the title formulas. Comparative calculations at the SCF, MP2, and DFT levels of theory show that only the latter is able to describe properly the energetics of various isomers of the whole triad. For the first-row transition metal, DFT gives excellent agreement with the experimental structures, whereas the MP2 a...

E Hunstock, C Mealli, M J Calhorda, J Reinhold (1999) Inorganic Chemistry ://000083670200021 38: 22 5053-5060

Structure and vibrational spectroscopy of methanesulfonic acid hydrazide : an experimental and theoretical study

2009-06-03T07:39:45Z

A comprehensive study of the molecule of methanesulfonic acid hydrazide (MSH) is presented. The X-ray structure shows that in the crystal two centrosymmetrically oriented MSH molecules are Yield together by N-H ... N hydrogen bonding interactions. This feature is unprecedented for the known arylsulfonic hydrazide analogues. The energetics of the various MSH staggered conformers and the stabilisati...

A Ienco, C Mealli, P Paoli, N Dodoff, Z Kantarci, N Karacan (1999) New Journal of Chemistry ://000084314700024 23: 12 1253-1260

Redox behavior of the molybdenum and tungsten metallafullerenes M(eta(2)-C-60)(CO)(2)(phen)(dbm) (phen = 1,10-phenanthroline; dbm = dibutyl maleate) : (spectro)electrochemistry and theoretical considerations

2009-06-03T07:39:45Z

Electrochemistry of M(eta(2)-C-60)(CO)(2)(phen)(dbm) (M = W 1, Mo 2; phen = 1,10-phenanthroline; dbm = dibutyl maleate) shows that the complexes undergo four sequential reduction processes. As with foe C-60, the first three electrons add reversibly (even if the relevant potentials are shifted ca. 0.15 V toward negative values), whereas the fourth reduction features chemical irreversibility. Cyclic...

P Zanello, F Laschi, R Fontani, C Mealli, A Ienco, K L Tang, X L Jin, L Li (1999) Journal of the Chemical Society-Dalton Transactions ://000079524700023 : 6 965-970

Roles of pi-alkyne, hydride-alkynyl, and vinylidene metal species in the conversion of alkynes into vinylidene : New theoretical insights

2009-06-03T07:39:45Z

The transformation of acetylene into vinylidene, as promoted by the metal fragment [(pp(3))Co](+) [pp(3) = P(CH2CH2PPh2)(3)], is unimolecular and features the hydride-acetylide species as an intermediate. The paper describes a detailed ab initio study of the reaction, in particular with regard to the step involving 1,3-H shift. The best computational results are obtained by mimicking the pp(3) Lig...

E Perez-Carreno, P Paoli, A Ienco, C Mealli (1999) European Journal of Inorganic Chemistry ://000084089900016 : 8 1315-1324

Theoretical overview of Pd(I) and Pt(I) dimers with bridging phosphido ligand(s)

2009-06-03T07:39:45Z

A review of all of the known structural stereotypes of dimeric Pt(I) or Pd(I) systems with at least one bridging phosphido group is presented. The nature of the direct metal-metal interaction is affected by the number, nature, and disposition of the various coligands. It appears that in some cases a bent M-M bond is by itself a center of nucleophilicity. On the other hand, it is experimentally kno...

C Mealli, A Ienco, A Galindo, E P Carreno (1999) Inorganic Chemistry ://000083257300003 38: 21 4620-4625

Heterocyclic systems containing antimony (III)-VIII. Hypervalency by intramolecular 1,5-chelation Sb - N in rings RSb[(CH2)(3)](2)NR ' (NR ' = NMe, NBz, NBui) and comparison to analogous compounds of As-III, Bi-III, Ge-IV and Sn-IV

2009-06-03T07:39:45Z

Eleven antimony compounds RSb[(CH2)(3)](2) NR' and eight germanium compounds R2Ge[(CH2)(3)](2) NR' (some combinations of R = Cl, I, NCS, OSiPh3, Ph, and NR' = NMe, NBz, NBui) have been synthesized by diGrignard reactions and subsequent treatment with AgSCN, Ph3SiONa or PhLi. The compounds were compared to 14 Sn, 1 As, 5 Sb and 4 Bi analogues taken from the literature. Evidence is provided for 1,5-...

E Brau, A Zickgraf, M Drager, E Mocellin, M Maeda, M Takahashi, M Takeda, C Mealli (1998) Polyhedron ://000075770800011 17: 16 2655-2668

X-ray structure of t-butyldiazopyruvate and its theoretical analysis through a variety of computational methods

2009-06-03T07:39:45Z

The structure of the t-butyldiazopyruvate (1), an intermediate in the synthesis of DPTA-like ligands (DTPA = diethylenetriaminepentaacetic acid), has been determined by X-ray analysis. The molecule, which lies in a crystallographic mirror plane, is characterised by a cis arrangement of the two carbonylic oxygen atoms. Molecular mechanics and quantum mechanical molecular orbital calculations, at EH...

P Dapporto, C Mealli, P Paoli, M Virtuani (1998) Structural Chemistry ://000072748400006 9: 2 129-137

Synthesis, molecular structure and theoretical considerations on Mo(PhC equivalent to CCOOEt)(3)(PMe3)

2009-06-03T07:39:45Z

The reaction of trans-Mo(C2H4)(2)(PMe3)(4) with PhC equivalent to CCOOEt affords (PhC equivalent to CCOOEt)(3)(PMe3) (1). The molecular structure of 1 has been determined by means of X-ray analysis. NMR studies have shown that 1 undergoes a dynamic process in solution due to the alkyne rotation. The related energy barrier is experimentally determined to be 15.1 kcal mol(-1). The well established E...

C Mealli, D Masi, A Galindo, A Pastor (1998) Journal of Organometallic Chemistry ://000076317300004 569: 1-2 21-27

Organometallic nickel(II) complexes with substituted benzonitrile ligands, Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(eta(5)-C5H5){P(C6H5)(3)}(NCC6H4NH2)][PF6]

2009-06-03T07:39:45Z

A new family of organometallic Ni(II) benzonitrile derivatives bearing strong donor substituents of general formula [Ni(eta(5)-C5H5){P(C6H5)(3)}NCC6H4R][PF6] (R = NH2, N(CH3)(2), C6H5, OCH3, H, F) has been synthesized. A structural study by X-ray diffraction of the compound with R = NH, showed crystallization on the centrosymmetric monoclinic space group, P2(1)/n, with a quasi planar structure of ...

A R Dias, M H Garcia, P Mendes, M F M Piedade, M T Duarte, M J Calhorda, C Mealli, W Wenseleers, A W Gerbrandij, E Goovaerts (1998) Journal of Organometallic Chemistry ://000073764600015 553: 1-2 115-128

The role of cyclo-triphosphorus (P-3) in-plane sigma orbitals in coordinating transition metal fragments

2009-06-03T07:39:45Z

New consideration of the chemical bonding in [L3M(mu-P-3) M'L-3](n+) complexes (triple-deckers with bifacial coordination of the unit P-3) focuses on the active role played by the P-3, sigma bonding network. The argument, developed from an extended Huckel molecular orbital (EHMO) analysis, is based largely on the rigorous symmetry properties of the MO interactions. In particular, for 30 electron s...

C Mealli, F Costanzo, A Ienco, M Peruzzini, E Perez-Carreno (1998) Inorganica Chimica Acta ://000074455100047 276: 1-2 366-372

Molecular-orbital study of a quasi-linear Ru2Mo trinuclear compound with a diamidolene ligand across each metal-metal linkage

2009-06-03T07:39:45Z

The electronic structure of the trinuclear compound [(Ph3P)(OC)(2)Ru{mu-C6H4(NH)(2)}Mo(CO)(2){mu-C6H4(NH)(2)}- Ru(CO)(2)(PPh3)], with a diamidolene ligand riding upright over each of the quasi-collinear Ru-Mo linkages, has been investigated by means of the extended-Huckel method and a graphic interface. The ability of the dianionic riders to donate eight electrons to adjacent metals is interpreted...

C Mealli, A Ienco, A Anillo, S GarciaGranda, R ObesoRosete (1997) Journal of the Chemical Society-Dalton Transactions ://A1997WW48300029 : 8 1441-1445

1,2-diamidolenes, -diphosphidolenes, and -dithiolenes as riders on sawhorses (L6M2 units). A theoretical interpretation of the stereochemistries, residual bonding capabilities, and contrasts to the behavior of 1,2-dioxolenes

2009-06-03T07:39:45Z

This paper analyzes from the theoretical viewpoint (ehmo calculations with the graphic interface of CACAO) the bonding capabilities of conjugated pi-ligands containing the unit XCCX (X = S, NR, PR) when they ride on binuclear fragments of the type L6M2 (sawhorse). The stereochemistries are monitored for a number of structures retrieved from the Cambridge Database. In the starting prototype, e.g. t...

C Mealli, A Ienco, A Anillo, S GarciaGranda, R ObesoRosete (1997) Inorganic Chemistry ://A1997XR23800022 36: 17 3724-3729

A comprehensive qualitative and quantitative molecular orbital analysis of the factors governing the dichotomy in the dinorcaradiene reversible arrow 1,6-methanol[10] annulene system

2009-06-03T07:39:45Z

The interconversion between the valence tautomers 1,6-methano[10]-annulene (1) and dinorcaradiene (2) was computationally investigated by qualitative extended Huckel molecular orbital methods (with CACAO visualization) and quantitative semiempirical and ab initio methods. The fundamental bonding interactions are described in terms of perturbation theory arguments for both tautomers, the influence ...

C Mealli, A Ienco, E B Hoyt, R W Zoellner (1997) Chemistry-a European Journal ://A1997XJ94600015 3: 6 958-968

Synthesis and characterization of tungsten alkenyl-carbyne and alkenyl-ketenyl complexes containing dithio ligands. X-ray crystal structure and MO analyses of [(dppe){kappa(3)(S,C,S)-S2CPCy3}W CCH=C(CH2)(3)CH2][BF4]

2009-06-03T07:39:45Z

The reaction of [(dppe)(CO)(2)(MeCN)W=CCH=CCH2(CH2)(n)CH2CH2][BF4] (dppe = 1,2-bis(diphenylphosphino)ethane; n = 1 (la), 4 (Ib)) with S2CPCy3 in methanol for 10 min affords [(dppe)(CO)(2){kappa(S)-S2CPCy3}W=CCH=CCH2(CH2)(n)CH2CH2][BF4] (n = 1(2a), 4 (2b)). Similarly, the complexes [(dppe)(CO)(2){kappa(S)-S2P(OEt)(2)}W=CCH=CCH2(CH2)(n)CH2CH2] (n = 1(3a), 4 (3b)) have been prepared by the reaction w...

L Zhang, M P Gamasa, J Gimeno, A Galindo, C Mealli, M Lanfranchi, A Tiripicchio (1997) Organometallics ://A1997XW95100009 16: 19 4099-4108

Like on heterogeneous hydrodesulfurization (HDS) catalysts, the homogeneous HDS of benzo[b]thiophene is achieved by the concomitant action of a metal promoter (Rh) and an active HDS component (W)

2009-06-03T07:39:45Z

C Bianchini, M V Jimenez, C Mealli, A Meli, S Moneti, V Patinec, F Vizza (1996) Angewandte Chemie-International Edition in English ://A1996VE34900023 35: 15 1706-1708

Synthesis, structure, and reactivity of the complexes Fe(eta(3)-S(2)CPR(3))(CO)(3). Electronic factors affecting the dichotomy between eta(2) and eta(3) coordination modes in transition metal complexes of dithiocarboxy ligands

2009-06-03T07:39:45Z

The reaction of Fe(BDA)(CO)(3) (BDA = benzylidene acetone) (1) with the dithiocarboxy adduct S(2)CPR(3) affords complexes of formula Fe(eta(3)-S(2)CPR(3))(CO)(3) (2). The pseudoallylic coordination of the SCS grouping is ascertained by an X-ray determination on the cyclohexyl derivative, 2a. The primary geometry of the complexes 2 is also maintained upon the electrophilic attack of a methyl cation...

A Galindo, C Mealli, J Cuyas, D Miguel, V Riera, J A PerezMartinez, C Bois, Y Jeannin (1996) Organometallics ://A1996UQ71900015 15: 12 2735-2744

MO analysis of the fluxional behavior of M(eta(3)-S(2)CPMe(3))(CO)(2)(PMe(3))(2) (M=Mo, W) complexes

2009-06-03T07:39:45Z

The fluxional behavior observed for the M(eta(3)-S-2-(CPMe(3))(CO)(2)(PMe(3))(2) (M = Mo, W) complexes is analyzed using a frontier orbital approach and extended Huckel calculations.

A Galindo, C Mealli (1996) Inorganic Chemistry ://A1996UE97300042 35: 8 2406-&

Thiophene C-S Bond-Cleavage by Rhodium and Iridium - an Unprecedented Bridging Mode of the Open C4h4s Fragment

2009-06-03T07:39:45Z

The complexes [{(triphos)M}(2)(mu-eta(3),eta(4)-SC4H4)](Y)(2) (M = Ir, Y = BPh(4); M = Rh, Y = PF6) are obtained by reaction of thiophene with either [(triphos)Ir(eta(4)-C6H6)]BPh(4) in Me(2)SO at 80 degrees C or [(triphos)RhCl(C2H4)] + TlPF6 in THF at room temperature; a single-crystal X-ray diffraction analysis of the iridium complex shows that an open C4H4S moiety sits astride two metal centres...

A Bacchi, C Bianchini, V Herrera, M V Jimenez, C Mealli, A Meli, S Moneti, M Peruzzini, R A Sanchezdelgado, F Vizza (1995) Journal of the Chemical Society-Chemical Communications ://A1995QX37700005 : 9 921-922

Uracil and Thiouracil Complexes of Dicyclopentadienyl Molybdenum and Tungsten - Preparation and Electrochemistry - the Structures of [M(Eta(5)-C5h5)(2)(2-Sn2oc4h3)][Pf6], [M(Eta(5)-C5h5)(2)(2-S(Ch3)N2oc4h2)][Pf6], [Mo(Eta(5)-C5h5)(2) (4-Sn2oc4h3)][Pf6] and [Mo(Eta(5)-C5h5)(2)(4-S(Ch3)N2oc4h2))][Pf6] (M=Mo and W)

2009-06-03T07:39:45Z

Cationic complexes [MoCp(2)(U)][PF6] (1), [MCp(2)(2TU)][PF6] (2, 2'), [MCp(2)(4TU)][PF6] (3, 3'), [MoCp(2)(2,4-DTU)]Cl (4), [MCp(2)(2MTU)][PF6] (5, 5') and [MCp(2)(4MTU)][PF6] (6, 6') (M = Mo, W; Cp = eta(5)-C5H5; U = uracilato; 2TU = 2-thiouracilato; 4TU = 4-thiouracilato; 2,4-DTU = 2,4-dithiouracilato; 2MTU = 2-methylthhiouracilato and 4MTU = 4-methylthiouracilato) have been prepared from the re...

A R Dias, M T Duarte, A M Galvao, M H Garcia, M M Marques, M S Salema, D Masi, C Mealli (1995) Polyhedron ://A1995QP07200017 14: 5 675-685

Cofacial and antarafacial indenyl bimetallic isomers : A descriptive MO picture and implications for the indenyl effect on ligand substitution reactions

2009-06-03T07:39:45Z

The hetero-bimetallic Ind complexes (Ind = indenyl anion) with the formula (CO)(3)Cr(mu-Ind)RhL(2) (L = CO, ethylene; L(2)= COD, COT, NBD) have two possible conformers, one with the metals at antipodal sides of the condensed bicyclic polyene (antarafacial, anti) and the other with both metals on the same side (cofacial, syn). These systems can be considered to contain 34 valence electrons by assum...

C Bonifaci, A Ceccon, S Santi, C Mealli, R W Zoellner (1995) Inorganica Chimica Acta ://A1995TV74200069 240: 1-2 541-549

Electron-Spin Pairing in the Condensation of 2 Stellated Octahedral Co-6(Mu(3)-S)(8) Skeletons - a Viewpoint from Qualitative Mo Theory

2009-06-03T07:39:45Z

The recently reported dodecamer [Co-12(mu(3)-S)(14)(mu(4)-S)(2)(PEt(3))(10)](2+) is envisaged as the condensation product between two octahedral [Co-6(mu(3)-S)(8)(PEt(3))(6)](+) clusters upon loss of one terminal phosphine ligand each. The latter, with 97 valence electrons, has the same primary geometry as several other species with skeleton M(6)(mu(3)-X)(8) and electron count in the range 80-98. ...

C Mealli, A Orlandini (1995) Gazzetta Chimica Italiana ://A1995RE71300004 125: 6 271-275

Theoretical Aspects of the Heterobimetallic Dimers with the T-over-Square Structural Motif - Synthesis and Structure of a Heteronuclear Platinum and Palladium Complex with 1-Methylcytosinato Bridging Ligands

2009-06-03T07:39:45Z

The molecular structure of trans-[(NH3)(2)Pt(mu-1-MeC(-))(2)Pd(NH3)][Pd(NH3)(4)](0.5)(NO)3 . 3H(2)O (1) has been determined by X-ray crystallography. The compound crystallizes in the triclinic space group P $($) over bar$$ 1 (No. 2), with a = 7.476(2) Angstrom, b = 11.373(3) Angstrom, c = 16.397(4) Angstrom, alpha 87.27(2)degrees, beta = 85.32(2)degrees, gamma = 88.74(2)degrees, and Z = 2. The str...

C Mealli, F Pichierri, L Randaccio, E Zangrando, M Krumm, D Holtenrich, B Lippert (1995) Inorganic Chemistry ://A1995RF41400008 34: 13 3418-3424

Structural and Nmr Spectroscopic Characterization of Eta(3)-Benzyl Palladium(Ii) Complexes

2009-06-03T07:39:45Z

eta3-Benzyl palladium complexes have been prepared by insertion of styrene in the Pd-Me bond of the solvated cation [L2PdMe(solv)]+ (L2 = chelating ligand). The eta3 coordination of the benzyl ligand has been elucidated by X-ray structure determination and NMR spectroscopy. NMR studies have shown that [(eta3-R-alpha-benzylPdL2]+ (R = Me or Et) undergo two dynamic processes in solution: eta3 - eta1...

G Gatti, J A Lopez, C Mealli, A Musco (1994) Journal of Organometallic Chemistry ://A1994PU32500012 483: 1-2 77-89

New Synthetic Routes to Face-to-Face and Open-Book Triazenide-Bridged Dirhodium Bipyridyl Complexes with the [Rh2]4+ Core

2009-06-03T07:39:45Z

The iodide-abstraction reaction of [{Rh2(mu-I)(CO)(bipy)(mu-RNNNR)2}2][PF6]2 1 (bipy = 2,2'-bipyridyl, R = p-tolyl) with AgPF6 in MeCN gave [Rh2(CO)(NCMe)2(bipy)(mu-RNNNR)2][PF6]2 2 which slowly decarbonylated at room temperature to [Rh2(NCMe)3(bipy)(mu-RNNNR)2][PF6]2 3. The crystal structure to 3 shows as Rh-Rh single bond [2.534(2) angstrom] and one of the three terminal nitrile ligands axially ...

N G Connelly, T Einig, G G Herbosa, P M Hopkins, C Mealli, A G Orpen, G M Rosair, F Viguri (1994) Journal of the Chemical Society-Dalton Transactions ://A1994NZ16700001 : 14 2025-2039

Chloro[O-(Diphenylphosphino)Benzaldehyde[(N-[O-(Diphenylphosphino)Benzyl Idene]Ethylamine)(Tetrachloro-O-Catecholato)Iridium(Iii)

2009-06-03T07:39:45Z

The title structure, chloro{2-(diphenylphosphino)-benzaldehyde-P}[N-12-(diphenylphosphino)ben zyli-dene}ethylamine-N,P](3,4,5,6-tetrachloro-1,2-benzenediolato-O,O')ir idium butanol hemisolvate, [IrCl(C6Cl4O2)(C19H15OP)(C21H20NP)].0.5C4H10O, consists of two independent molecules in the asymmetric unit with an Ir(III) metal atom pseudo octahedrally coordinated by the following donors: two catecholat...

P Barbaro, C Bianchini, C Mealli, D Masi (1994) Acta Crystallographica Section C-Crystal Structure Communications ://A1994PK71000018 50: 1414-1417

A Pictorial Mo Description of Buckminsterfullerene and Its Interactions with Transition-Metal Fragments

2009-06-03T07:39:45Z

The highly delocalized distribution of the MOs in C60 has been analyzed with the aid of extended Huckel calculations and their graphic representations. Symmetry and perturbation theory arguments rationalize the MO correlations in terms of the implosion of 12 C5 rings distributed at the vertices of an expanded icosahedron. In particular, two distinguishable sigma and pi C60 subsets are each split i...

J A Lopez, C Mealli (1994) Journal of Organometallic Chemistry ://A1994PF63600021 478: 1-2 161-171

Electronic-Structure of Ligand-Bridged Complexes Containing the [Rh2[3+ Core - Esr Spectroscopy, Mo Calculations, and X-Ray Structures of the 3 Redox Pairs [Rh2(Co)2ll'(Mu-Phnc(Me)Nph)2]Z [Z=0,1 L=L'=Pph3, P(Oph)3 - L=Pph3, L'=P (Oph)3]

2009-06-03T07:39:45Z

The X-my crystal structure analyses of the three redoX pairs [Rh2(CO)2LL'{mu-PhNC(Me)NPh}2]z [z = 0, 1; L = L' = PPh3 (1, 1+); L - L' = P(OPh)3 (2, 2+); L = PPh3, L' - P(OPh)3 (3, 3+)] are reported and the molecular structures compared with those Of [Rh2(CO)2(PPh3)2(mu-RNNNR)2]z [z - 0, 1; R = p-tolyl (4,4+)]. These have locally planar rhodium coordination with the planes splayed apart between 20 ...

D C Boyd, N G Connelly, G G Herbosa, M G Hill, K R Mann, C Mealli, A G Orpen, K E Richardson, P H Rieger (1994) Inorganic Chemistry ://A1994NC47500021 33: 5 960-971

Cacao - a Handy Tool for Exploring the Electronic-Structure of C60 and Its Reactivity toward Metal Fragments

2009-06-03T07:39:45Z

C Mealli (1994) Abstracts of Papers of the American Chemical Society ://A1994PA26101334 208: 27-COMP

Is There a Direct Fe-Fe Bond in Fe2(Co)9

2009-06-03T07:39:45Z

It is usually stated that the two iron atoms in Fe2(CO)9 share a direct bond. A theoretical analysis, however, shows that this matter is more complex. By populating or depopulating certain frontier orbitals of Fe2(CO)9 and optimizing the corresponding hypothetical systems one can split up the interactions, the sum of which leads to the overall structure of the Fe2(CO)9 complex. The different inter...

J Reinhold, E Hunstock, C Mealli (1994) New Journal of Chemistry ://A1994NP49000005 18: 4 465-471

Cacao (Computer-Aided Composition of Atomic Orbitals) - an Interactive Package of Programs for Molecular-Orbital Analysis

2009-06-03T07:39:45Z

D M Proserpio, C Mealli (1994) Abstracts of Papers of the American Chemical Society ://A1994PA26101349 208: 42-COMP

Multiple Bonds between Main-Group Elements and Transition-Metals .123. Re-C Bond Homolysis in Alkylrhenium and Arylrhenium Trioxides - a Qualitative Mo Interpretation

2009-06-03T07:39:45Z

In many cases, the decomposition of methyltrioxorhenium (CH3ReO3, MTO) and other alkyl and aryl derivatives appears occur through the homolytic cleavage of the Re-C bond. Under these circumstances, the already deficient metal [Re(VII)] gives up half of the electron pair donated by the alkyl anion, and the ensuing Re(VI) species has a finite lifetime as a free radical. The problem is tackled from t...

C Mealli, J A Lopez, M J Calhorda, C C Romao, W A Herrmann (1994) Inorganic Chemistry ://A1994NB71200028 33: 6 1139-1143

Synthesis and Reactivity of (Eta(6)-Arene)(Phosphino Enolato)Ruthenium(Ii) Complexes, Their Coupling Reaction with Phenylacetylene, and Thermal Rearrangement to a Phosphametallacyclopropane - X-Ray Crystal-Structures of (Ru[Eta(3)-Ch=C(Ph)Ch(Pph2)C(but)=O](P-Cymene))(Pf6), of (Ru[Eta(3)-Ch=C(Ph)C(Me)(Pph2)C(Et)=O](Mesitylene))(Bf4), and of (Ru[Eta(3)-Ch(Pph2)Cph=C(H)C(but)=O](Mesitylene))(Bf4)

2009-06-03T07:39:45Z

The reaction of lithium enolates with chlorodiphenylphosphine provides a convenient large scale synthesis of beta-keto phosphines. The coordination of beta-keto phosphines 1 at an (eta6-arene)Cl2Ru fragment affords neutral complexes (eta6-arene)Cl2Ru[eta1-P-Ph2PCHR2C(=O)R1], 2, cationic complexes {(eta6-arene)ClRu[eta2-P,O-Ph2PCR3R2C(R1)=O]}+, 3, and neutral enolato derivatives (eta6-arene)ClRu[et...

B Demerseman, B Guilbert, C Renouard, M Gonzalez, P H Dixneuf, D Masi, C Mealli (1993) Organometallics ://A1993MC32200025 12: 10 3906-3917

Nucleophilic-Attack at the Central Allyl Carbon-Atom in [(Eta-3-Allyl)Ml2]+ Complexes (M = Pd, Pt) - Experimental Facts and New Theoretical Insights

2009-06-03T07:39:45Z

The reaction of ketene silyl acetals with [(eta3-allyl)PtL2]+OAc- leads to formation of platina-(II)cyclobutanes upon the nucleophilic attack of the enolate at the central allyl carbon atom (C(c)). As a result, from a new theoretical analysis for complexes of the type [(eta3-allyl)ML2]+ (M = Pd, Pt), the C(c)-centered MO (C3-pi(perpendicular-to)*) is not destabilized as usually assumed. Rather, it...

C Carfagna, R Galarini, K Linn, J A Lopez, C Mealli, A Musco (1993) Organometallics ://A1993LU68300026 12: 8 3019-3028

Stereochemistry of Hypervalent Tin(Iv) Compounds - Nmr and Crystallographic Studies of Organoyltin(Iv) Complexes with 1,1-Dithiolate Ligands

2009-06-03T07:39:45Z

Tin-119 NMR data have been used to examine the effective coordination spheres in dichloromethane solution of a series of organoyltin(IV) 1,1-dithiolate compounds RSnX(n)(S-S)3-n (where R=Ph, Me; X=Cl, Br; n=0, 1, 2), for S-S=S2CNEt, S2COEt, S2P(OEt)2. Intermolecular balide and 1,1-dithiolate exchange are slow on the NMR timescale however the tin-119 chemical shifts are temperature dependent due to...

D Dakternieks, H J Zhu, D Masi, C Mealli (1993) Inorganica Chimica Acta ://A1993MB33300006 211: 2 155-160

Ambivalence of Nucleophilic-Attack on Central and Terminal Allyl Carbon-Atoms of [(Eta-3-Allyl)Ml2]+ (M = Pd or Pt) Complexes

2009-06-03T07:39:45Z

The coordinated allyl group of complexes [(eta3-allyl)ML2]+ (M = Pd or Pt) is shown experimentally to undergo nucleophilic attack on either central (C(c)) or terminal (C(t)) allyl carbon atoms. A new theoretical discussion is presented, showing that the feasibility of attack at the C(c) atom is not as low as previously thought.

M Formica, A Musco, R Pontellini, K Linn, C Mealli (1993) Journal of Organometallic Chemistry ://A1993LA18900038 448: 1-2 C6-C9

Mutual Influence between Equatorial and Axial Ligands in Trigonal Bipyramidal Metal-Complexes - a Theoretical Rationalization of the Different M-N(Ax) Bond Stretching in 2 High-Spin D(5)-Pseudo-Isomers

2009-06-03T07:39:45Z

A comparison between the structures of the two pseudo-trigonal bipyramidal complexes [Mn(N(CH2CH2PPh2)3I]BPh4, 1 and [Mn(N(CH2CH2NMe2)3Br]BPh4. 2, has shown that, notwithstanding the unique Mn(II) high spin electron configuration, the Mn-Na, bond is significantly stretched [2.19(3) vs. 2.634(9) angstrom] when three equatorial amine donors are substituted by three phosphine analogs. A rationalizati...

K Linn, C Mealli, A Orlandini (1993) New Journal of Chemistry ://A1993KZ01100002 17: 3 153-155

Simultaneous Coordination of Hydrides and Eta-1-S Thiophenes Made Possible at Iridium

2009-06-03T07:39:45Z

The complexes [IrH2(eta1S-Th)2(PPh3)2]PF6 (Th = thiophene (2), benzo[b]thiophene (3), dibenzothiophene (4) and tetrahydrothiophene (5)) have been synthesized in high yields by hydrogenation of [Ir(COD)(PPh3)2]PF6 (COD = 1,5-cyclooctadiene) in the presence of the appropriate thiophene. The structures of 2 and 5 have been determined by X-ray diffraction. Crystal data: 2, monoclinic, space group C2/c...

R A Sanchezdelgado, V Herrera, C Bianchini, D Masi, C Mealli (1993) Inorganic Chemistry ://A1993LU16500037 32: 17 3766-3770

Mo Architectures of Octahedral Metal-Clusters

2009-06-03T07:39:45Z

The paper presents a qualitative MO analysis of highly symmetrical, mostly diamagnetic octahedral metal clusters. Two classic types are considered: (i) clusters supported by face-capping ligands with general formula M(6)(mu(3)-X)(8)L(6) (X=pi donor or acceptor, L=two-electron sigma donor or the cyclopentadienyl anion) and a variety of electron counts; (ii) clusters with only terminal ligands, e.g....

C Mealli, J A Lopez, Y Sun, M J Calhorda (1993) Inorganica Chimica Acta ://A1993MG50000026 213: 1-2 199-212

Reversible Uptake of H2 and N2 at Cobalt in the Solid-State - Influence of the Counter Anion on the Formation of Classical Dihydride Vs Nonclassical Eta-2-Dihydrogen Forms of [(Pp3)Coh2]+

2009-06-03T07:39:45Z

C Bianchini, C Mealli, M Peruzzini, F Zanobini (1992) Journal of the American Chemical Society ://A1992JB98000089 114: 14 5905-5906

Synthesis, Characterization, and Molecular-Structure of the 1st Metal-Complex Containing Tlcl as a Ligand - a Novel Carrier of Thallium(I)

2009-06-03T07:39:45Z

The cis hydride chloride complex [(PP3)RuH(Cl)] (1) [PP3 = P(CH2CH2PPh2)3] in CH2Cl2 is capable of extracting Tl+ from TlPF6 in the aqueous phase to give [(PP3)RuH(ClTl)]PF6 (2), which contains a unique example of eta1-(Cl)-TlCl ligand. Compound 2 decomposes in refluxing THF, separating TlCl and forming the unsaturated [(PP3)RuH]+ moiety, which, by addition of PPNCl, restores the starting chloride...

C Bianchini, D Masi, K Linn, C Mealli, M Peruzzini, F Zanobini (1992) Inorganic Chemistry ://A1992JQ64100005 31: 20 4036-4037

Synthesis, Crystal-Structure, Electrochemistry and Molecular-Orbital Analysis of the Piano-Stool Dimer [Mo2(Eta-C5h5)2(Co)4-(Nc5h4pph2-2)2]

2009-06-03T07:39:45Z

The addition of 2-(diphenylphosphino)pyridine (NC5H4PPh2-2) to an in situ prepared m-xylene solution of [Mo2(eta-C5H5)2(CO)4] (molar ratio 2:1 ), at room temperature, yields the complex [Mo2(eta-C5H5)2(CO)4(NC5H4PPh2-2)2] 1. Compound 1 is easily converted into the cationic molybdenum(II) mononuclear complex [Mo(eta-C5H5)(CO)3(NC5H4PPh2-2)]PF6 2 by reaction with AgPF6. Reduction of 1 with Na or Na/...

C G Arena, F Faraone, M Fochi, M Lanfranchi, C Mealli, R Seeber, A Tiripicchio (1992) Journal of the Chemical Society-Dalton Transactions ://A1992HY00600013 : 11 1847-1853

Adduct of 2 1,8-Naphthyridine Molecules (One Protonated) with Tetrachloroferrate(Iii)

2009-06-03T07:39:45Z

1,8-Naphthyridinium tetrachloroferrate(III)-1,8-naphthyridine (1/1), C8H7N2+.FeCl4-.-C8H6N2, M(r) = 458.9, monoclinic, Cc, a = 10.698 (2), b = 25.533 (4), c = 7.315 (2) angstrom, beta = 101.83 (1)-degrees, V = 1955.67 (72) angstrom 3, Z = 4, D(x) = 1.5588 Mg m-3, lambda(Cu K-alpha) = 1.5418 angstrom, mu = 11.4 mm-1, F(000) = 924, room temperature, final R = 0.0704 for 929 reflections. The structur...

P Barbaro, C Bianchini, M Fochi, D Masi, C Mealli (1992) Acta Crystallographica Section C-Crystal Structure Communications ://A1992HR80400011 48: 625-627

A Description of the Effects of Silyl Vs Alkyl Substituents in Ketones in the Light of O-17 Nmr Data and with the Help of Qualitative Mo Theory

2009-06-03T07:39:45Z

O-17 NMR spectra (natural abundance) for selected acylsilanes show high-frequency chemical shifts with respect to the corresponding ketones. An MO qualitative analysis clarifies the origin of the above experimental finding as being due to other well-known chemical and physical differences between the two types of compound. The importance of a relatively small HOMO-LUMO gap in acylsilanes is stress...

S Chimichi, C Mealli (1992) Journal of Molecular Structure ://A1992JJ91000013 271: 1-2 133-148

Dioxygen Uptake and Transfer by Co(Iii), Rh(Iii) and Ir(Iii) Catecholate Complexes

2009-06-03T07:39:45Z

A large number of five-coordinate metal catecholate complexes of the general formula [(triphos)M(Cat)]Y have been synthesized and characterized by chemical, spectroscopic and electrochemical techniques (M=Co, Rh, Ir; Cat=9,10-phenathrenecatecholate, 1,2-naphthalencatecholate, 3,5-di-tert-butylcatecholate, 4-methylcatecholate, 4-carboxycatecholate-ethylester, tetrachlorocatecholate; Y=BPh4, PF6; tr...

P Barbaro, C Bianchini, K Linn, C Mealli, A Meli, F Vizza, F Laschi, P Zanello (1992) Inorganica Chimica Acta ://A1992JK24300005 200: 31-56

Structure and Bonding of the Coordinatively Unsaturated Complexes [Fe2(Co)5(Mu-Pr2)(Mu-Pr'2)](Fe = Fe) (R = R' = Bu(T), R = Ph, R' = Bu(T)) - Reaction of Na[Fe2(Mu-Co)(Co)6(Mu-Pr2)] with R'2pcl (R, R' = Ph, Cy, Me, Bu(T))

2009-06-03T07:39:45Z

The reaction of anions [Fe2(mu-CO)(CO)6(mu-PR2)]- with R'2PCl gives either the electron-precise bis-(phosphido)-bridged diiron hexacarbonyl complexes [Fe2(CO)6(mu-PR2)(mu-PR'2)] (R = Ph, R' = Cy (1), Bu(t) (3); R = R' = Cy (2); R = Me, R' = Bu(t) (4)) or the new electron-deficient diiron pentacarbonyl complex [Fe2(CO)5(mu-PBu(t)2)2] (5). Thermal treatment of 3 affords another complex of this latte...

B Walther, H Hartung, J Reinhold, P G Jones, C Mealli, H C Bottcher, U Baumeister, A Krug, A Mockel (1992) Organometallics ://A1992HP32100026 11: 4 1542-1549

Ligand-Dependence and Oxidation State-Dependence of Structure in Triazenido-Bridged Complexes with Face-to-Face and Open-Book Dirhodium Cores - Mo Studies and the Crystal-Structure of [Rh2(Mu-Co)(Bipy)(Dppm)(Mu-Rnnnr)2][Pf6]2.2ch2cl2 (R = P-Tolyl)

2009-06-03T07:39:45Z

Treatment of [{Rh2I(CO)(bipy)(mu-RNNNR)2}2][PF6]2 2 with AgPF6 and dppm gives [Rh2(mu-CO)(bipy)(L-L)(mu-RNNNR)2]2+ (5; L-L = dppm), X-ray and MO studies on which show that it may be viewed as an open-book [Rh2]6+ core bridged by a 'ketonic' CO2- ligand; this isomer is in equilibrium in solution with a face-to-face isomer in which the carbonyl ligand is terminally boLnd to one metal only, a related...

N G Connelly, T Einig, G G Herbosa, P M Hopkins, C Mealli, A G Orpen, G M Rosair (1992) Journal of the Chemical Society-Chemical Communications ://A1992HB78700035 : 2 143-145

Regioselective Hydroformylation of Cyclic Vinyl and Allyl Ethers with Rhodium Catalysts - Crucial Influence of the Size of the Phosphorus Cocatalyst

2009-06-03T07:39:45Z

In the course of studies aimed at developing new catalytic systems, we have explored the possibilities offered by the modification of thiolato bridges in dinuclear rhodium complexes, together with the influence of the cocatalyst, on the selective hydroformylation of cyclic vinyl and allyl ethers. The dinuclear complex [Rh2(mu-S(CH2)3NMe2)2(cod)2] (Cod = 1,5-cyclooctadiene) has been prepared, and i...

A Polo, C Claver, S Castillon, A Ruiz, J C Bayon, J Real, C Mealli, D Masi (1992) Organometallics ://A1992JY62500015 11: 11 3525-3533

Structural Flexibility and Bonding Capabilities of the Ligand Np3 toward the Transition-Metals

2009-06-03T07:39:45Z

C Mealli, C A Ghilardi, A Orlandini (1992) Coordination Chemistry Reviews ://A1992KA99400016 120: 361-387

Stereochemical Nonrigidity and Ligand Dynamics in Hypervalent Tin(Iv) Compounds - Heteronuclear Nmr and Crystallographic Studies of Triorganoyltin(Iv) and Diorganoyltin(Iv) Complexes with Dithiolate Ligands

2009-06-03T07:39:45Z

Tin-119, phosphorus-31, and carbon-13 NMR data have been used to examine the effective coordination spheres in dichloromethane solution of a series of triorganoyl- and diorganoyltin(IV) dithiolate compounds R3Sn(S-S) (where R = Ph, Me) and R2Sn(S-S)2 (where R = Ph, Me, (n)Bu, (t)Bu) for S-S = S2CNEt2, S2COEt, and S2P(OEt)2 as well as diorganoyltin(IV) dithiolate halide complexes R2SnX(S-S) (R = Ph...

D Dakternieks, H J Zhu, D Masi, C Mealli (1992) Inorganic Chemistry ://A1992JJ87200021 31: 17 3601-3606

Structure of (4-Pentynoato-O,O')(Tris[2-(Diphenylphosphino)Ethyl]Phosphine)Iron(Ii) Tetraphenylborate

2009-06-03T07:39:45Z

[Fe(C5H5O2)(C42H42P4)][B(C6H5)4], M(r) = 1142.9, monoclinic, P2(1)/a, a = 26.296 (3), b = 12.304 (4), c = 19.061 (2) angstrom, beta = 103.63 (2)-degrees, V = 5993.4 (22) angstrom3, Z = 4, lambda(Cu Kalpha) = 1.5418 angstrom, mu = 33.9 cm-1, F(000) = 2404, room temperature, final R = 0.086 for 4321 significant reflections. The molecular structure consists of tetraphenylborate anions and discrete co...

K Linn, D Masi, C Mealli, C Bianchini, M Peruzzini (1992) Acta Crystallographica Section C-Crystal Structure Communications ://A1992KF29600042 48: 2220-2222

Synthetic Models for Catechol 1,2-Dioxygenases - Interception of a Metal Catecholate Dioxygen Adduct

2009-06-03T07:39:45Z

P Barbaro, C Bianchini, C Mealli, A Meli (1991) Journal of the American Chemical Society ://A1991FG03200062 113: 8 3181-3183

Reductive Elimination of Dimethylcarbonate from (Dimethoxycarbonyl)Tricarbonyl Cobaltates - Isolation and Crystal-Structures of Cs[Co(Cooch3)2(Co)3] and K[(Dibenzo-18-Crown-6)][Co(Cooch3)2(Co)3]

2009-06-03T07:39:45Z

Salts of the anion [Co(COOCH3)2(CO)3]- with Cs+ and K+ (with the latter cation complexed by dibenzo-18-crown-6 ether) have been isolated and structurally characterized. In the trigonal bipyramidal cobaltate two C-coordinated COOCH3 groups occupy trans-axial positions. There are ionic interactions between the cation and the terminal oxygen atoms of methoxycarbonyl involving both of the coordinated ...

G Fachinetti, T Funaioli, D Masi, C Mealli (1991) Journal of Organometallic Chemistry ://A1991GL22800034 417: 1-2 C32-C35

Metal Metal-Bonding Network in Tetranuclear Planar Clusters

2009-06-03T07:39:45Z

In order to understand the trends of the M4 skeleton to deform in planar clusters of type M4(CO)16, extended Huckel calculations have been performed. Depending on the total electron count the shape transforms ideally from square to rhombus through the formation of one diagonal M-M bond (64 --> 62e-). The nature of the annular and transannular M-M sigma-interactions is illustrated.

C Mealli, D M Proserpio (1991) Materials Chemistry and Physics ://A1991GR13900019 29: 1-4 245-249

Synthesis and Characterization of Dirhodium Complexes Containing Mu-So, Mu-Sh, and Mu-S2 Groups Stabilized by the Tripodal Ligand Ch3c(Ch2pph2)3

2009-06-03T07:39:45Z

C Bianchini, C Mealli, A Meli, M Peruzzini, F Vizza (1990) Phosphorus Sulfur and Silicon and the Related Elements ://A1990DM05700091 49: 1-4 425-428

[Pt2(Mu-No)(Mu-Dppm)2cl2]Bf4 - the 1st a-Frame Complex with a Nitrosyl Bridgehead

2009-06-03T07:39:45Z

M Ghedini, F Neve, C Mealli, A Tiripicchio, F Ugozzoli (1990) Inorganica Chimica Acta ://A1990EY31300002 178: 1 5-7

Intermetal Bonding Network in 2-Dimensional Tetranuclear Clusters

2009-06-03T07:39:45Z

C Mealli, D M Proserpio (1990) Journal of the American Chemical Society ://A1990DM62900012 112: 14 5484-5496

A New Insight from Qualitative Mo Theory into the Problem of the Fe-Fe Bond in Fe2(Co)9

2009-06-03T07:39:45Z

C Mealli, D M Proserpio (1990) Journal of Organometallic Chemistry ://A1990DA89500007 386: 2 203-208

Mo Theory Made Visible

2009-06-03T07:39:45Z

C Mealli, D M Proserpio (1990) Journal of Chemical Education ://A1990DJ09200022 67: 5 399-402

Carbon-Carbon Bond Formation by Reaction of an Alkyne with Ruthenium(Ii) Complexes - Crystal-Structure of [Ru(Eta-3-Ph2p-Ch(Cph=Ch)-C(Bu-Tert)=O](Para-Cymene)]Pf6

2009-06-03T07:39:45Z

B Guilbert, B Demerseman, P H Dixneuf, C Mealli (1989) Journal of the Chemical Society-Chemical Communications ://A1989AJ84000036 : 15 1035-1037

Intramolecular Coupling Reaction of Phosphino Thioenolato Iron(Ii) Complexes with Alkynes - Crystal-Structure of [Fe(Eta-3-Ph2p-Ch=C(Bu-Tert)S-C=Chph)(Co)(Pme3)2]Bf4

2009-06-03T07:39:45Z

A Samb, B Demerseman, P H Dixneuf, C Mealli (1988) Journal of the Chemical Society-Chemical Communications ://A1988Q886600007 : 21 1408-1409

Activation of C-H Bonds in Acetylene and Terminal Alkynes by Rhodium(I) Species - Crystal-Structure of Cis-(Ethynyl)Hydride [(Np3)Rh(H)(C=Ch)]Bph4.1.5c4h8o (Np3 = N(Ch2ch2pph2)3)

2009-06-03T07:39:45Z

C Bianchini, C Mealli, M Peruzzini, F Vizza, F Zanobini (1988) Journal of Organometallic Chemistry ://A1988N767800019 346: 3 C53-C57

Electron-Transfer from Borohydride and Selective Reductions of Iron Cations - Synthesis of Tetrathiooxalate Iron Derivatives

2009-06-03T07:39:45Z

D Touchard, J L Fillaut, D V Khasnis, P H Dixneuf, C Mealli, D Masi, L Toupet (1988) Organometallics ://A1988L782200013 7: 1 67-75

Evidence for a Molecular-Hydrogen Complex of Rhodium - Some Factors Affecting Cis-Dihydride Reversible Eta-2-Dihydrogen Exchange

2009-06-03T07:39:45Z

C Bianchini, C Mealli, M Peruzzini, F Zanobini (1987) Journal of the American Chemical Society 109: 18 5548-5549

Genesis of Tetrathiooxalate-Like C2s4 and C2se4 Units - a Multiform Experimental-Study and the Relevant Theoretical Implications for the Role of Transition-Metal Fragments

2009-06-03T07:39:45Z

C Bianchini, C Mealli, A Meli, M Sabat, P Zanello (1987) Journal of the American Chemical Society 109: 1 185-198

Rearrangements in Mln Complexes of Diazenes and the Ligand- Substitution Reaction

2009-06-03T07:39:45Z

S K Kang, T A Albright, C Mealli (1987) Inorganic Chemistry 26: 19 3158-3166

Synthesis, Structure and Properties of a Series of Cobalt- Catechol Complexes

2009-06-03T07:39:45Z

C Bianchini, F Laschi, A Meli, C Mealli, P Zanello (1987) Recueil Des Travaux Chimiques Des Pays-Bas-Journal of the Royal Netherlands Chemical Society 106: 6-7 422-422

Comprehensive Experimental and Interpretational Study of the Complex-Formation and Transformations Involving Ortho-Quinoid Molecules and an L3cobalt-Type Metal Fragment

2009-06-03T07:39:45Z

C Bianchini, D Masi, C Mealli, A Meli, G Martini, F Laschi, P Zanello (1987) Inorganic Chemistry 26: 22 3683-3693

The Variable Coordination Chemistry of a Potentially Heptadentate Ligand with a Series of 3d Transition-Metal Ions - the Chemistry and Structures of [M(Py3tren)]2+, Where M(Ii) = Mn, Fe, Co, Ni, Cu, and Zn and (Py3tren)=N(Ch2ch2n=C(H)(C5h4n))3

2009-06-03T07:39:45Z

R M Kirchner, C Mealli, M Bailey, N Howe, L P Torre, L J Wilson, L C Andrews, N J Rose, E C Lingafelter (1987) Coordination Chemistry Reviews 77: 89-163

Real and Hypothetical Examples of Bridging by Eta-2-Cs2 Ligands

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M C Zonnevylle, R Hoffmann, C Mealli, C Bianchini (1987) Gazzetta Chimica Italiana 117: 2 117-124

Coenzyme B-12 Co-C Bond Homolysis - Insights from Qualitative Molecular-Orbital Theory

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C Mealli, M Sabat, L G Marzilli (1987) Journal of the American Chemical Society 109: 5 1593-1594

A Qualitative Molecular-Orbital Investigation of the Co-C Bond Homolysis in Coenzyme-B12

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C Mealli, L G Marzilli (1987) Recueil Des Travaux Chimiques Des Pays-Bas-Journal of the Royal Netherlands Chemical Society 106: 6-7 348-348

Synthesis, Structure and Properties of the Cobalt(Ii) Paramagnetic Hydride [(Triphos)Coh(Pet3)]Bph4

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C Bianchini, D Masi, C Mealli, A Meli, M Sabat (1986) Gazzetta Chimica Italiana 116: 4 201-206

Reversible Double Addition of H2 on a Bis(Mu-Sulfido) Binuclear Rhodium Complex

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C Bianchini, C Mealli, A Meli, M Sabat (1986) Inorganic Chemistry 25: 26 4617-4618

A Family of Hydride Complexes of Rhodium - Crystal-Structure of the Paramagnetic Rhodium(Iii)-Rhodium(Ii) Complex [(Triphos)Rh(Mu-H)3rh(Triphos)](Bph4)2.Dmf [Triphos = Mec(Ch2pph2)3, Dmf = Dimethylformamide]

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C Bianchini, C Mealli, A Meli, M Sabat (1986) Journal of the Chemical Society-Chemical Communications : 10 777-779

Reactivity of Alkynes toward Eta-2-Cs, Eta-2-Cse Metal- Complexes .1. The [2 + 2] Condensation of an Alkyne on a Metal Carbene - an Experimental and Theoretical-Study .2. Formation and X-Ray Structure of Unusual Doubly and Triply Condensed Cyclic Systems

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C Bianchini, C Mealli, A Meli, M Sabat, J Silvestre, R Hoffmann (1986) Organometallics 5: 8 1733-1741

Synthesis and Structure of Cobalt and Nickel Sigma-Alkenyl Complxes

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C Bianchini, C Mealli, A Meli, M Sabat (1985) Abstracts of Papers of the American Chemical Society 189: APR- 219-INOR

Stepwise Metal-Assisted Conversion of Cse2 to Se-2 and Co2 - Novel Bonding Mode of the Diselenium Molecule in the Double-Se- 2-Bridged Complex [(Triphos)Rh(Mu-Se- 2)2rh(Triphos)](Bph4)2.2dmf

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C Bianchini, C Mealli, A Meli, M Sabat (1985) Journal of the American Chemical Society 107: 18 5317-5318

7-Bromocavernicolenone, a New Alpha-Bromoenone from the Mediterranean Sponge Aplysina (= Verongia) Cavernicola - Implied, Unprecedented Involvement of a Halogenated Dopa in the Biogenesis of a Natural Product

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M Dambrosio, C Mealli, A Guerriero, F Pietra (1985) Helvetica Chimica Acta 68: 5 1453-1460

Electron-Promoted C-C Bond Formation - Novel Route to Tetrathiooxalate Derivatives

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D Touchard, J L Fillaut, P Dixneuf, C Mealli, M Sabat, L Toupet (1985) Organometallics 4: 9 1684-1686