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本文报道具有反向端基的本多烯基硝基系列化合物Ｘ＝－ＮＯ２，－ＣＨＯ，－ＣＯＣＨ＿３）的气相ＨｅＩ紫外光电子能谱（ＵＰＳ）．ＵＰＳ谱的指认借助于已有报道的与此有关的小分子的ＵＰＳ结果以及对每个研究分子的ＭＮＤＯ计算．不同端基分子的最低ＵＰＳ实验电离能（ＩＰ）不但随分子中端基效应的减弱和分子中乙烯基数目的增加呈递降关系，而且指出与乙烯基直接相连的－Ｘ为端基．而与苯环相连的－ＮＯ２基为反向端基的理论和实验基础．
In this paper, we report the gas-phase HeI ultraviolet photoelectron spectroscopy (UPS) of a series of p-polynitro nitro compounds X = -NO2, -CHO, -COCH3 with opposite terminal groups. The identification of the UPS spectrum is based on the previously reported UPS results for small molecules associated therewith as well as MNDO calculations for each molecule studied. The lowest UPS experimental ionization energy (IP) of different terminal groups not only decreases with the decrease of the terminal effect in the molecule but also with the increase of the number of vinyl groups in the molecule, and points out that -X which is directly linked to the vinyl group is the terminal group. While the -NO2 group attached to the benzene ring is the theoretical and experimental basis for the reverse terminal group.