Studies on the molecular orbitals of (ph3p)2co(co)cl adn (dppe-p,p)2co(co)+

Abstract

MO calculation for model complexes of (Ph3P)2Co(CO)2Cl and (dppe-P, P)2Co(CO)+ were performed using INDO method. The results reveal that d orbitals contribute a little to the bonding between cobalt and ligands. The bonding picture between 4s or 4p orbitals of cobalt and s or p ones of ligands can be considered as three-center-two-electron and two-center-two-electron bonds. The difference in stability of the two species has been explained.

Key words: CHLORIDE, COMPUTER APPLICATIONS, BENZENE P, CARBONYL COMPOUNDS, TRIPHENYLPHOSPHINE, CHEMICAL BONDS, COBALT COMPLEX, PHOSPHORUS COMPOUNDS, PENTACOORDINATE, INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATION (IND

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Cite this article

ZHANG ZHENGONG;WANG XUKUN;XI ZHEN. Studies on the molecular orbitals of (ph3p)2co(co)cl adn (dppe-p,p)2co(co)+[J]. Acta Chimica Sinica, 1990, 48(12): 1147-1152.

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(Ph3P)2,Co(CO)2Cl和(dppe-P,P)2CO(CO)+的分子轨道研究