高等学校化学学报

高等学校化学学报 ›› 2002, Vol. 23 ›› Issue (11): 2147.

• 研究论文 • 上一篇    下一篇

铜/硒二元团簇离子的形成和紫外光解

陈云清, 邢小鹏, 高振, 朱起鹤   

  1. 分子反应动力学国家重点实验室, 中国科学院化学研究所分子科学中心, 北京100080
  • 收稿日期:2000-08-05 出版日期:2002-11-24 发布日期:2002-11-24
  • 通讯作者: 高　振(1939年出生),男,研究员,博士生导师,从事无机团簇研究.E-mail:gaoz@m rdlab.icas.as.cn E-mail:gaoz@m rdlab.icas.as.cn
  • 基金资助:

    国家自然科学基金(批准号:29773054)资助

Formation and Photodissociation of Copper-selenium Clusters

CHEN Yun-Qing, XING Xiao-Peng, GAO Zhen, ZHU Qi-He   

  1. State Key Laboratory of Molecular Reaction Dynamics, Center for Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China
  • Received:2000-08-05 Online:2002-11-24 Published:2002-11-24

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摘要： 用串级飞行时间质谱仪结合激光直接溅射的方法产生了铜/硒二元团簇正负离子,正离子主要系列为(Cu2Se)nCu+和(Cu2Se)n+,负离子主要系列为(Cu2Se)nCuSe-和(Cu2Se)nSe-;研究了团簇正离子的紫外光解.结果表明,光解产物主要是一级谱中丰度较大的一些离子.用密度泛函方法(DFT)对Cu3Se-,Cu3Se2+的稳定构型及光解通道进行了理论计算,解释了实验中观察到的现象.

关键词: Cu/Se团簇, 激光烧蚀, 串级飞行时间质谱仪, 紫外光解, 密度泛函

Abstract: The formation and photodissociation of Cu/Se binary clusters were studied on the laser ablation tandem time-of-flight mass spectrometer. It was found that the cations [Cu(Cu2Se)n]+ and [(Cu2Se)n]+, the anions [CuSe(Cu2Se)]-, [(Cu2Se)nSe]- were the main products. In the photodissociation experiment of CunSem+, [Cu(Cu2Se)n]+ and [(Cu2Se)n]+ were the main products. The structures and photodissociation channels of Cu3Se+, Cu5Se2+ were studied by using a kind of "DFT" method, in which the LANL2DZ basis was used.

Key words: Cu/Se cluster, Laser ablation, Tandem time-flight mass spectrum, UV photodissociation, Density function theory

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