| 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: |
|
| The interrelation analysis between structure-property of organic compoundsⅡ.The interrelation analysis between structure-property of benzene |
|
FU Jian xi 1 MA Yang min 1 LIU Han lan 2 TIAN Peng 1
|
| 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 |
