2-(3-硝基苯基)吡咯烷[3,′4′:1,2][60]富勒烯的合成与理论分析

Synthesis and Theoritical Analysis of 2-(3-nitrophenyl)Fullerenopyrrolidine

以C60、间-硝基苯甲醛和甘氨酸为原料反应合成得到2-(3-硝基苯基)吡咯烷[3,′4′∶1,2][60]富勒烯(mNPF),通过正交实验对其合成工艺条件进行研究,得到最佳工艺条件:反应物的计量比为1∶4∶6,温度为100℃,反应时间为24 h,溶剂甲苯体积为80mL,mNPF的产率可达82.1%(以消耗的C60计)。用紫外光谱、红外光谱、质谱和核磁共振谱等对最终产物进行了表征,采用半经验计算方法PM 3对反应的可行性进行了理论研究。用差热分析仪测试了mNPF的热稳定性,结果表明,产物具有良好的热稳定性。

A new fullerene derivative 2- （3-nitrophenyl） fullerenopyrrolidine （mNPF） containing energy-producing groups was prepared with glycine, m-nitrobenzaldehyde and [-60] fullerene as primary materials, and the reaction conditions were investigated by orthogonal test. The optimum reaction conditions with 82. 1% yield （based on consumed C60） are.. molar ratio of C60, m-nitrobenzaldehyde and glycine 1 ： 4： 6, reaction temperature 100 ℃, reaction time 24 h,volume of toluene solvent 80mL. The structure of mNPF was characterized by UV-vis, FT-IR, 1HNMR, 13CNMR and MS. The feasibility of reaction was studied by semiempirical calculations PM3 method. The thermal stability of mNPF was studied by DTA, showing that mNPF has good thermal stability.