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yi xi ji zai ben yi xi qin dian qu dai fan ying zhong de ding wei xiao ying
Author(s): 
Pages: 3-5
Year: Issue:  2
Journal: Journal of Higher Correspondence Education(Natural Science Edition)

Keyword:  苯乙烯电子结构乙烯基的定位效应;
Abstract: 本文从理论上研究了苯乙烯的电子结构,结果表明,苯乙烯的乙烯基在空间的位置影响苯乙烯的原子电荷分布和能量,从而影响苯乙烯的亲电取代反应.苯乙烯的C-Ph锭旋转,形成不同构象之间的最大与最小体系能量值之差△E仅0.00525188a.u(3.2956kcal.moL-1).当C8-C7-C1与苯环成40度时,体系能量E(40)=-307.448920182a.u最低,为稳定的优势构象.苯乙烯中乙烯基表...
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