Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (05): 433-437.doi: 10.3866/PKU.WHXB19950510

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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

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