苯多烯基硝基系列化合物的HeI紫外光电子能谱（UPS）研究  

HeI Photoelectron Spectroscopic Studies of Nitro-Phenyl polyenic Conjugative Systems

作　　者：王殿勋[1] 李颖[1] 郑世钧[1] 徐广智[1] 

机构地区：[1]中国科学院化学研究所

出　　处：《Chinese Journal of Chemical Physics》1994年第6期513-518,共6页化学物理学报（英文）

基　　金：国家自然科学基金

摘　　要：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．Abstract HeI photoelectron Spectra of nitro-phenyl polyenic conjugative system:have been given in this paper. The assignments of the spectra arc also done using the UPS resultsof some relative molecules reported and the MNDO molecular orbital calculation of moleculesstudied. It is shown that the linear reduction of HOMO ionization potentials (IP) with the increment of ethylenic group number and with the weakness of the terminal group election effectis the base of homologous linear rule of this series compounds. And it is also pointed out thatthe group connected to ethylenic group is considered as the terminal group and -NO_2 groupconnected to phyenyl ring is named as an apposite terminal groups.

关 键 词：苯多烯基 硝基 UPS HEI MNDO计算 

分 类 号：O625.6[理学—有机化学] O657.39[理学—化学]