Acta Chimica Sinica ›› 1992, Vol. 50 ›› Issue (9): 863-867. Previous Articles     Next Articles

Original Articles

双核V配合物中金属-金属键的INDO定域化方法研究

李前树;李松;唐敖庆   

  1. 吉林大学理论化学研究所
  • 发布日期:1992-09-15

A study on metal-metal bonding in dimer v ligands with indo scf and e-r localization methods

LI QIANSHU;LI SONG;TANG AOQING   

  • Published:1992-09-15

The electronic structure and chem. bonding were studied of dimer ligands V2(m-h2-S2)2(S2CCH3)4 and [V2O2Cl6]2- by means of INDO-SCF Edmiston-Ruedenberg (E-R) localized-MO methods. A new method is proposed to determine the bonding properties using populations of d-subshell orbitals.

Key words: ELECTRONIC STRUCTURE, MOLECULAR ORBITAL THEORY, DINUCLEAR COMPLEX, VANADIUM COMPLEX, METALLIC BONDS, INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATION (IND

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