Acta Phys. -Chim. Sin. ›› 1994, Vol. 10 ›› Issue (04): 360-362.doi: 10.3866/PKU.WHXB19940414

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Study on Bonding Behavior of the element Clusters Lien

Zhang Hua-Bei, Liang Guo-Ming, Tian An-Min, Yan Guo-Sen   

  1. Department of Chemistry, Sichuan University, Chengdu 610064
  • Received:1992-10-16 Revised:1992-12-29 Published:1994-04-15
  • Contact: Yan Guo-Sen

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Abstract:

The Localized molecular orbitals of element clusters Li~e_n(n=1-6, 8; e=+1) have been calculated. The results show besides the two-centre bonds, a variety of many center bonds including closed-form and open-form ealst in Li~e_n. The many-centre bonds and the coordination numer as a character of metallic bonds increase with the increasing of the size of clusters. The influences of the geometric structures and electronic states on the bonding have been discussed.

Key words: Localized molecular orbitals, Lien elemental clusters, Many-centre bonds