机构地区: 海南师范大学化学与化工学院化学系
出 处: 《有机化学》 1998年第4期377-381,共5页
摘 要: 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。 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).