European Journal of Inorganic Chemistry · 2008 · 31 citations · 20 references
Natural SciencesChemistryComputational ChemistryInorganic ChemistryOrganic ChemistryCarbene ComplexesChemical BondingCoordination ChemistryHeterocyclic ChemistryMetal-ligand BondingTransition Metal ComplexesCarbene Complex ReactivityCarbene Coordination ChemistryCharge DistributionCharge-state DistributionComputational Studies Of Carbene ComplexesElectronic Structure Of Carbene ComplexesLigand Electronic EffectsStabilization
Abstract The reaction of the (mixed‐valent) aryltellurenyl halidesRTeTeCl 2 R ( 1 ), RTeTeBr 2 R ( 2 ) and RTeI ( 3 , R = 2,6‐Mes 2 C 6 H 3 ) with 1,3,4,5‐tetramethylimidazol‐2‐ylidene (CR′ 2 ) provides cationic aryltellurenyl carbene complexes of the type [RTe(CR′ 2 )] + A – ( 4 , A = RTeCl 2 ; 5 , A = RTeBr 2 ; 6 , A = I). The stabilization energy and natural charge distribution of the model cation [PhTe(CR′ 2 )] + as well as the related σ‐donor‐stabilized cations [PhTe(PMe 3 )] + , [I(CR′ 2 )] + , [I(PMe 3 )] + were investigated by DFT calculations and NBO analyses.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
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