有机化合物的构性相关分析Ⅱ.苯的构性相关分析  

The interrelation analysis between structure property of organic compounds Ⅱ.The interrelation analysis between structure property of benzene

作　　者：傅建熙[1] 马养民[1] 刘汉兰[2] 田鹏[1] 

机构地区：[1]西北农林科技大学生命科学学院,陕西杨陵712100 [2]华中农业大学基础课部,湖北武汉430070

出　　处：《西北农业大学学报》2000年第5期33-36,共4页Journal of Northwest Sci-Tech University of Agriculture and Forestry（Natural Science Edition)

摘　　要：用 HMO法简明地描述了苯的π分子轨道。计算说明 ,由于苯分子的 6个 p轨道形成环状大π键后具有了 2β的离域能 ,致使苯环在化学上具有高度的稳定性。同时 ,在构性相关理论的指导下对苯进行较系统的构性相关分析。结果表明 ,苯的环状大π键结构不仅使苯成为 1个 L ewis碱 ,而且使苯容易发生卤代、硝化、磺化等亲电取代反应 ,但不易发生加成反应。molecular orbital of benzene is expounded simply by HMO method.The count shows that benzene has 2β delocalization energy after its 6 p orbitals made up a cyclic π bond.For this reason benzene has a high stability.And the interrelation analysis between structure property of benzene is done systematically under the guidance of the interrelation theory between structure property of organic compounds.The result indicates that the big π bond of benzene not only turns benzene into a Lewis base,but also makes it to undergo electrophilic substitution (halogenation,nitration,sulfonation and so on),rather than addition.

关 键 词：分子轨道 构性相关分析 苯 Π键 HMO法 

分 类 号：Q625.11[生物学—生物物理学] Q621.13