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利用丙氨酸和2,5-二羟基苯甲醛所形成的亚胺叶立德与C60发生1,3-偶极环加成反应,合成并分离、纯化制备了一种新的C60吡咯烷衍生物:2-(2-5-二羟基苯基)-5-甲基-2,5-二氢吡咯并[3,4]富勒烯.通过1HNMR,FT-IR,UV-vis和元素分析确定了其结构,研究了体系的电化学和荧光性质.采用密度泛函的方法,在B3LYP/6-31G水平上对分子的几何构型进行了优化,得到稳定的几何构型;运用INDO/S方法计算了化合物的电子光谱,计算结果434.2nm与实验值432.0nm基本一致.
A new C60 pyrrolidine derivative was synthesized through the 1,3-dipolar cycloaddition of imine ylide formed by alanine and 2,5-dihydroxybenzaldehyde with C60. The 2- (2-5-dihydroxyphenyl) -5-methyl-2,5-dihydropyrrolo [3,4] fullerene was confirmed by 1H NMR, FT-IR, UV-vis and elemental analysis Its structure and the electrochemical and fluorescent properties of the system were studied.The geometrical configuration of the molecule was optimized at density of B3LYP / 6-31G by density functional theory, and the stable geometric configuration was obtained. Using the INDO / S method Calculated the electronic spectrum of the compound, the calculated results 434.2nm and the experimental value of 432.0nm basically the same.