乙醇分子电子波函数的超共轭效应
Hyperconjugative Effect on the Electronic Wavefunctions of Ethanol
摘要：
超共轭是化学中的一个基本概念。它的直接效果表现为电子密度分布或波函数的空间离域特性。这种影响的最高占据分子轨道（HOMO）的两个乙醇构象的电子波函数证明与电子动量谱与自然键轨道分析，表现出明显不同的对称性的HOMO波函数在动量空间。
英文摘要：
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.
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