物理化学学报 >> 1995, Vol. 11 >> Issue (05): 433-437.doi: 10.3866/PKU.WHXB19950510

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苯氰基衍生物气相HeI紫外光电子能谱研究

陈瑞芝, 郑世钧, 蔡新华, 孟令鹏, 王殿勋   

  1. 河北师范大学化学系|石家庄 050091|中国科学院化学研究所|北京分子动态及稳态国家开放实验室|北京 100080
  • 收稿日期:1994-01-29 修回日期:1994-06-14 发布日期:1995-05-15
  • 通讯作者: 郑世钧

Gas -phase Studies of Cyano Derivatives of Benzene Series by HeI Ultraviolet Photoelectron Spectroscopy

Chen Rui-Zhi, Zheng Shi-Jun, Cai Xin-Hua, Meng Ling-Peng, Wang Dian-Xun   

  1. Chemistry Department,Hebei Teacher's Colleage,Shijiazhuang 050091|Institute of Chemistry,Academia Sinica,Beijing 100080
  • Received:1994-01-29 Revised:1994-06-14 Published:1995-05-15
  • Contact: Zheng Shi-Jun

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关键词: 基氰基衍生物, HeI紫外光电子能谱, MNDO计算

Abstract:

Gas-phase HeI ultraviolet photoelectron spectra of m-dicyanobenzene, P-dicyanobenzene and 1,2,4,5-tetracyanobenzene are given in this paper. Photoelectron spectra are assigned using MNDO molecular orbital calculation and correlation analysis for benzene and each cyanobenzene. It may be pointed out that there is some effect of the substituted position and numbers of -CN group on the relative ordering levels, splittings and the levels of the two orbitals splitted by elg(π) of benzene.

Key words: Cyanoderivative of benzene, HeI Ultraviolet photoelectronspectra;MNDO