摘要
利用量子化学计算对C60表面同一五元环上三氮杂衍生物的结构进行了分析,计算结果表明硝基的基团效应并不影响所涉及的C60衍生物的对称性。同时结合常温和变温核磁谱图以及类似结构衍生物的氢核磁谱图,对实验合成得到的C衍生物的几何结构进行了确认。
The structures of trisazabridged [60] fullemid were analyzed by the quantum chemistry calculation, Multi-Tof MS, UV-vis, and NMR. The calculated results show there is a group effect of the nitro group even if the group effect was too weak to change the symmetry of C60 dericafives. Furthermore, the space fine structure of the C60 derivatives is confirmed through the analogoue derivatives.
出处
《北京化工大学学报（自然科学版）》
CAS
CSCD
北大核心
2005年第3期77-79,84,共4页
Journal of Beijing University of Chemical Technology(Natural Science Edition)
基金
国家自然科学基金资助项目(59902001)
