European Journal of Inorganic Chemistry · 2006 · 44 citations · 29 references
Natural SciencesChemistryComputational ChemistryOrganic ChemistryOrganometallic ChemistryCarbene ComplexesCoordination ChemistryHeterocyclic ChemistryLigand BindingMetal-ligand BondingTransition Metal ComplexesCarbene Complex CrystallographyCarbene Coordination ChemistryComputational Studies Of Carbene ComplexesOctahedral ComplexesOctahedral CoordinationPincer Carbene LigandsPincer ComplexesTransition Metal Carbene Complexes
Abstract The “pincer”‐type carbene complexes Rh(C–N–C)Cl and Rh(C–N–N)Cl [C–N–C = 3,3′‐diaryl‐1,1′‐pyridine‐2,6‐diylbis(imidazol‐2‐ylidene), C–N–N = 1‐aryl‐3‐(2,2′‐bipyridin‐6‐yl)imidazol‐2‐ylidene] have been prepared and characterised by spectroscopic and diffraction methods. They bind CO to give cationic complexes but are inert to H 2 . Both oxidatively add CH 2 Cl 2 to give octahedral Rh III complexes. Theoretical calculations provide insight into the bonding of the Rh(C–N–C)Cl and Rh(C–N–N)Cl complexes. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13