Hyperconjugative effect on the electronic wavefunctions of ethanol
Hyperconjugative effect on the electronic wavefunctions of ethanol
复制标题
乙醇电子波函数的超共轭效应
DOI：
10.1016/j.cplett.2009.02.064
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发表时间：
2009-04-06
影响因子：
2.8
通讯作者：
Xu, Kezun
中科院分区：
文献类型：
--
作者：
Chen, XiangJun;Wu, Fang;Xu, Kezun
超共轭是化学的一个基本概念。其直接效应表现为电子密度分布或波函数的空间离域特性。用电子动量谱和自然键轨道分析证明了这种对两种乙醇构象的最高占据分子轨道（HOMO）的电子波函数的影响，表明HOMO波函数在动量空间中具有明显不同的对称性。(C) 2009 Elsevier b.v.版权所有
Hyperconjugation is a basic conception of chemistry. Its straightforward effect is exhibited by the spatial delocalization characteristics of the electron density distributions or wavefunctions. Such effects on the electron wavefunctions of the highest-occupied molecular orbitals (HOMO) of two ethanol conformers are demonstrated with electron momentum spectroscopy together with natural bond orbital analyses, exhibiting the distinctly different symmetries of the HOMO wavefunctions in momentum space. (C) 2009 Elsevier B. V. All rights reserved.