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Inorganic Chemistry, Vol.38, No.16, 3751-3754, 1999
New synthetic route, x-ray structure, and molecular orbital analysis for trans,trans-dichlorobis(triphenylphosphine)(phenyl)-rhodium(III). Do agostic Rh center dot center dot center dot H(PPh3), hydrogen-bond (Rh)Cl center dot center dot center dot H(PPh3), or steric intramolecular interactions prevail?
An efficient synthesis of [RhCl2(Ph)(PPh3)(2)] is achieved from the reaction of RhCl3 with SbPh3, through [RhCl2(Ph)(SbPh3)(3)], and a subsequent ligand displacement reaction with PPh3. The molecular structure is assisted by two Cl ... H-C linkages rather than two agostic Rh ... H-C interactions on the basis of a density functional optimization of the model molecule [RhCl2(Ph)(PH2CHCH2)(2)].