机构地区: 长江大学化学系
出 处: 《湖南师范大学自然科学学报》 2004年第2期56-59,共4页
摘 要: 用AM1方法计算8个对位取代Schiff碱分子的电子结构.结果表明,当对位取代基R1和R2不同时,引起2个苯环(A,B)不同程度的旋转,使分子具有不同的构像;且取代基的吸电子能力愈强,分子的极性愈大. The electronic structure of eight compounds of p, p′-disubstituted Schiff-bases have been calculated by AMI in this paper. The results indicated that the difference between R1 and R2 would result in rotation of the two aromatic rings and the Schiff base molecules possess different conformation. The stronger the electron withdrawing ability of substituent R1 and R2, the bigger the molecular polar is.