nucleophilicity

As steric hindrance of the aryl amine decreased and nucleophilicity increased, occurrence of the transfor-mation reaction increased and herbicidal activity of the product decreased.

芳胺空间小,亲核性强,副反应容易发生,产物除草活性低。

On the basis of equilibrated geometrical structure obtained by B3LYP/6-311G method,the nucleophilicity of-N(CH3)2 and-NH2 groups are investigated by electrostatic potential and MO calculations.

在B3LYP/6-311G计算所得的平衡几何构型基础上,分别根据静电和分子轨道计算研究了分子中-NH2和-N(CH3)2的亲核性,并与偏二甲基肼和卤代烃反应的实验结果进行了对比分析。