物理化学学报 >> 1995, Vol. 11 >> Issue (03): 266-269.doi: 10.3866/PKU.WHXB19950316

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激光等离子体反应生成的AgP+n、AumP+n的结构分析

林梦海, 刘朝阳, 郑兰荪   

  1. 厦门大学化学系|固体表面物理化学国家重点实验室|厦门 361005
  • 收稿日期:1994-01-27 修回日期:1994-06-28 发布日期:1995-03-15
  • 通讯作者: 林梦海

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

关键词: 激光等离子体反应, AgP+n、AumP+n簇离子, DV-Xa 方法;, 量子化学

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