Acta Phys. -Chim. Sin. ›› 1994, Vol. 10 ›› Issue (02): 179-182.doi: 10.3866/PKU.WHXB19940219

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HeI Ultraciolet Photoelectron Spectroscopic Studies of Thienyl Polyethylenic Dimethyl Malonates Comopunds

Wang Dian-Xun, Zheng Shi-Jun, Meng Ling-Peng, Cai Xin-Hua, Dai Cui-Chen, Xu Guang-Zhi, J. B. Peel   

  1. Institute of Chemistry, Academia Sincia, Beijing 100080| Department of Chemistry, La Trobe University, Bundoora Vic, Australia 3083
  • Received:1992-07-23 Revised:1993-02-15 Published:1994-02-15
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Abstract:

HeI ultraviolet photoelectron spectra of some thienyl polyethylenic dimethyl malonates compoundsf(1), (2), (3)(to see Fig.1) have been given in this paper. The assignment of the spectra are also done using the optimized MNDO molecular orbital calculation for each studied molecules. It is shown that the linear reduction of HOMO ionization energy (I_p) which is mainly antiboding in character of ethylenic group with the increment of ethylenic group number is fortunately the basis of the homologous lineax rule of this series of compounds. And it is also pointed out that weight of two —COOCH_3 groups in the HOMO orbital is very small, that is to say, they can not be differentiated as the terminal or substituent.

Key words: Gas phase UPS, Thienyl polyethylenic dimethyl malonates compounds, MNDO molecular orbital calculations