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,分别根据静电势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。