LINEAR SEMIBRIDGING CARBONYLS .2. HETEROBIMETALLIC COMPLEXES CONTAINING A COORDINATIVELY UNSATURATED LATE TRANSITION-METAL CENTER
Additional Document Info
The electronic structure and bonding of four heterobimetallic carbonyl complexes, (tmed)CuCo(CO)4, (PPh3)2CuMo(CO)3(5-C5H5), (PPh3)2MoRh(CO)3(5-C5H5), and (tmed)CuMo(CO)3(5-C5H5), are analyzed by the parameter-free Fenske-Hall molecular orbital method. The distinguishing characteristics of these four complexes are that one of the metal centers is a coordinatively unsaturated late transition metal center and that one or more carbonyls linearly semibridge the metal-metal bond. Coordinatively unsaturated late transition metal centers have been thought to accept electron density from semibridging carbonyl ligands to satisfy the 18-electron rule. Our results, however, suggest that these centers donate electron density from a high energy occupied metal d orbital to the unoccupied * orbitals of the linear semibridging carbonyl ligands. 1989, American Chemical Society. All rights reserved.