Chemical Research in Chinese Universities ›› 1989, Vol. 5 ›› Issue (3): 255-260.

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Electronic Structures of Mono- and Bi-nuclear Benzene-Transition Metal Sandwich Complexes

Wang Zhizhong, Shen Erzhong, Wang Liqun   

  1. Institute of Theoretical Chemistry, Jilin University
  • Received:1988-06-10 Online:1989-08-24 Published:2011-09-09

Abstract: We report here the calculations on electronic structures of mono- and bi-nuclear benzene - transition metal sandwich complexes by means of CNDO/2 program, on the basis of molecular orbital components, atomic net charges and bond orders, the bonding pictures are analysed and discussed.

Key words: Mononucleaar benzene-metal sandwich complexes, Binuclear sandwich benzene-palladium complexes, Ab initio calculation