有机化学 ›› 1998, Vol. 18 ›› Issue (4): 377-381. 上一篇    下一篇

研究论文

不同分子环境中甲基的电负性研究

宋小平;韩长日   

  1. 海南师范学院化学系
  • 发布日期:1998-08-25

The research on the electronegativity for methyl in different molecular environment

SONG XIAOPING;HAN CHANGRI   

  • Published:1998-08-25

建立了不同分子环境中甲基中心碳原子电负性的计算模型, 计算了一些常见的CH~3-Z分子模型中甲基中心碳原子的电负性。结果表明:不同分子环境中的甲基具有不同的诱导效应参数, 该参数表现出规律性, 并可用于结构-性能的相关分析。

关键词: 海南省教育厅资助基金, 诱导效应, 甲基, 分子模型, 相关分析, 结构与性能关系, 电负性, 碳原子

The paper supposed a method for calculating the electronegativities of methyl in different molecular environment. The electronegativities scale of methyl in some common different molecular environment were calculated. The results indicate that the methyls in different molecular environments have a different parameters of inductive effect. These parameters of inductive effect of methyls exhibit markedly their periodic rule and can be used in discussing quantitative structure-activity relationships (QSAR).

Key words: INDUCTIVE EFFECT, STRUCTURE AND PROPERTY CORRELATION, CORRELATION ANALYSIS, MOLECULAR MODEL, CARBON ATOM, ELECTRONEGATIVITY, METHYL GROUP

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