| 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 Lewis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。 |
| 关键词: 分子轨道,构性相关分析,苯,π键 |
| DOI： |
| 分类号:O621.2 |
| 基金项目: |
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| The interrelation analysis between structure-property of organic compoundsⅡ.The interrelation analysis between structure-property of benzene |
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FU Jian xi 1,MA Yang min 1,LIU Han lan 2,TIAN Peng 1,FU Jian xi 1,MA Yang min 1,LIU Han lan 2,TIAN Peng 1,FU Jian xi 1,MA Yang min 1,LIU Han lan 2,TIAN Peng 1
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| Abstract: |
| π molecular orbital of benzene is expounded simply by HMO method.The
count shows that benzene has 2β delocalization energy after its 6 p orbitalsmade 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
alsomakes it to undergo electrophilic substitution (halogenation, nitration, sulfonation
and so on), rather than addition. |
| Key words: molecular orbital the interrelation analysis between structure-property benzene πbond |
