Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (03): 266-269.doi: 10.3866/PKU.WHXB19950316

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Structure Analysis of AgP+n and AumP+n Generated by Laser Plasma Reactions

Lin Meng-Hai, Liu zhao-Yang, Zheng Lan-Sun   

  1. Department of Chemistry,Xiamen University,The State Key Laboratory for Physical Chemistry of Solid Surface,Xiamen 361005
  • Received:1994-01-27 Revised:1994-06-28 Published:1995-03-15
  • Contact: Lin Meng-Hai

Abstract:

Structure of 19 cluster cations for AgPn+ and AumPn+ generated by laser plasma reactions have been designed according to chemical bond and calculated using DV-Xα method of quantum chemistry. The results show that P atoms always tend to form P4 fragInnt, then combine with Au atoms. The ability of Au atoms to form cluster is stronger than Ag atoms. It combines with P4 fragment after forming chain or cluster of Au atoms. In many-nuclear system the 5d2, 6s1 hybrid orbitals of Au atoms overlap to form cluster skeleton orbitals with each other, there are a lot of metallic nonbonding orbitals.

Key words: Laser plasma reaction, Cluster cation AgP+n AumP+n;DV-Xa method, Quantum chemistry