Search results for "phosphine"
showing 10 items of 618 documents
CCDC 1017126: Experimental Crystal Structure Determination
2015
Related Article: Marina A. Uvarova, Anna A. Sinelshchikova, Margarita A. Golubnichaya, Sergey E. Nefedov, Yulia Yu. Enakieva, Yulia G. Gorbunova, Aslan Yu. Tsivadze, Christine Stern, Alla Bessmertnykh-Lemeune, Roger Guilard|2014|Cryst.Growth Des.|14|5976|doi:10.1021/cg501157e
CCDC 881688: Experimental Crystal Structure Determination
2013
Related Article: Vincent Rampazzi, Alexandre Massard, Philippe Richard, Michel Picquet, Pierre Le Gendre, Jean-Cyrille Hierso|2012|ChemCatChem|4|1828|doi:10.1002/cctc.201200368
CCDC 910978: Experimental Crystal Structure Determination
2013
Related Article: I.Sorribes, F.Lloret, J.C.Waerenborgh, V.Polo, R.Llusar, C.Vicent|2012|Inorg.Chem.|51|10512|doi:10.1021/ic300368z
CCDC 116230: Experimental Crystal Structure Determination
2000
Related Article: J.Vicente, J.-A.Abad, A.D.Frankland, M.C.Ramirez de Arellano|1999|Chem.-Eur.J.|5|3066|doi:10.1002/(SICI)1521-3765(19991001)5:10<3066::AID-CHEM3066>3.0.CO;2-F
CCDC 2193614: Experimental Crystal Structure Determination
2022
Related Article: Araceli de Aquino, Jas S. Ward, Kari Rissanen, Gabriel Aullón, João Carlos Lima, Laura Rodríguez|2022|Inorg.Chem.|61|20931|doi:10.1021/acs.inorgchem.2c03351
STUDY OF THE INTERNAL DYNAMICS OF NON PLANAR PYRAMIDAL MOLECULES IN VIBRATIONALY VERY EXCITED STATES.
2007
From the U (p+1) formalism, we built a Hamiltonian adapted to the stretching modes of nonplanar XY3 molecules having the C3v group of geometrical invariance. This Hamiltonian is then coupled with two possible Hamiltonians describing the bending modes of these molecular system: a) based on the U (p+1) approach, a bending Hamiltonian is developed and the interaction between the bending and the stretching modes is taking into account through adapted 2:1 resonance coupling operator defined as a Us(4) x Ub(4) enveloping algebra operator ; b) based on the standard normal modes formalism, a bending modes Hamiltonian is expanded and the 2:1 interaction is taken into account as a tensorial product o…
Ligand dissociation accelerated by spin state change: locating the minimum energy crossing point for phosphine exchange in CpMoCl2(PR3)2 complexes
2000
International audience; The minimum energy crossing point between the doublet and quartet potential energy surfaces of CpMoCl2(PH3)2 is calculated to lie 4.8 kcal mol−1 lower in energy than the doublet dissociative intermediate CpMoCl2(PH3). Implications for the influence of spin state changes on the rates of organometallic reactions are discussed.
Reactions of dirhodium(II) monometallated compounds with phosphines. Factors affecting the reactivity and the structure of the doubly-metallated comp…
1992
Abstract Monometallated compounds of formula Rh2(O2CCH3)3[(p-XC6H3)P(p-XC6H4)2](HO2CCH3)2 (X=CH3, Cl) have been prepared in good yield. The reactions with p-substituted triarylphosphines P(p-X′C6H4)3 (X′=CH3, H, Cl) have been studied. For X=X′ and [P]/[Rh2]=1 all the resulting doubly metallated compounds Rh2(O2CCH3)2[(p- XC6H3)P(p-XC6H4)2](HO2CCH3)2 (X=CH3, Cl) have head-to-tail (H-T) structure. For [P]/[Rh2]=3 reaction progress is observed at room temperature. When X=X′ a 1:1 mixture of H-T and H-H compounds is formed for X=Cl but only the H-H compound is obtained for X=CH3. For X ≠ X′ mixtures of H-T and H-H compounds are obtained. The entering phosphine, and to a less extent the phosphin…
Synthesis and crystal structure of {Rh2(O2CCH3)4·P(o-CH3OH6H4)Ph2}2. A novel dirhodium(II) monoadduct with intermolecular μ-oxo interactions
1997
Abstract We have investigated the reaction of dirhodium tetraacetate with the phosphine P( o -CH 3 OH 6 H 4 )Ph 2 (P) under different experimental conditions. From these reactions we have been able to isolate the dirhodium tetraacetate phosphine mono-adduct. The crystal structure shows that in the solid state this compound forms a centrosymmetric dimer of the dimer, {Rh 2 (O 2 CCH 3 ) 4 ·P(0-CH 3 OC 6 H 4 )Ph 2 } 2 , in which we oxygen atom from one acetate group in one Rh 2 (O 2 CCH 3 ) 4 ·P unit is axially coordinating one Rh atom on another Rh 2 (O 2 CCH 3 ) 4 · P unit (Rh⋯) 2.347(3) A intermolecular versus Rh⋯O 2.455(3) A intermolecular), and vice versa. The RhRh bond distance is 2.414…
Determination of equilibrium constants and computational interaction energies for adducts of [Rh2(RCO2)(4-n)(PC)n] (n = 0-2) with Lewis bases.
2007
Properties of dirhodium catalysts with cyclometalated aryl phosphine ligands have been studied. We report here the study of the acid−base reaction of Rh2(RCO2)2(PC)2(H2O)2 catalysts (PC = cyclometalated aryl phosphine) with different Lewis bases. The determination of the equilibrium constants of these reactions can be used to study to which extent the properties of the axial coordination site of the catalyst, considered the active site, are affected by modification of the metalated phosphines, the carboxylate ligands, or the incoming axial ligand. The trends in the computational density functional theory interaction energies show good agreement with the major trends in the equilibrium const…