| 共轭芳烃分子的定域电负性标度及亲电反应活性 |
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| 引用本文： | 步宇翔,陈淑兰,马力群.共轭芳烃分子的定域电负性标度及亲电反应活性[J].化学研究与应用,1991(3). |
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| 作者姓名： | 步宇翔 陈淑兰 马力群 |
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| 作者单位： | 曲阜师范大学化学系，曲阜师范大学化学系，曲阜师范大学化学系 曲卑 273165，曲卑 273165，86级学生 曲卑 273165 |
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| 摘 要： | 本文基于MO理论的基本结果提出了一个标度共轭分子定域电负性的公式: LE_j=-0.168(sum from i to 占 n_i C_(ij)~2E_i/sum from i to 占 n_iC_(ij)~2+1.23)运用此式计算了部分共轭芳烃分子的定域电负性,并讨论了其亲电取代反应的区域选择性,得到了与实验一致的结论。
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| 关 键 词： | 共轭芳烃分子 定域电负性 亲电反应活性 |
THE LOCAL ELECTRONEGATIVITY SCALE AND THE ACTIVITY OF ELECTROPHILIC REACTION OF CONJUGATED MOLECULES |
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| Bu Yuxiang,Chen Shulan,Ma Liqun.THE LOCAL ELECTRONEGATIVITY SCALE AND THE ACTIVITY OF ELECTROPHILIC REACTION OF CONJUGATED MOLECULES[J].Chemical Research and Application,1991(3). |
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| Authors: | Bu Yuxiang Chen Shulan Ma Liqun |
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| Institution: | Bu Yuxiang,Chen Shulan,Ma Liqun Department of Chemistry,Qufu Normal University,Qufu 273165 |
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| Abstract: | Based on the MO theory results, A new formula for scaling molecular local electronegativity (LE) has been obtained: LE_j=-0.168 sum from i to DCC(n_ic_(ij)E_i)/sum from i to DCC(n_ic_(ij)+1.23)) Making use of it, the conjugated molecular LE have been calculated, the regional selectivity of electrophilic substitute reaction has been discussed and the conclusion agree quite well with experimental results. |
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| Keywords: | conjugated molecule local electronegativity activity of electrophilic substitute reaction |
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