Chemistry Department, Moscow State University, Leninskie gory, 119991Moscow, Russia.
Inorg Chem. 2023 Feb 6;62(5):2425-2429. doi: 10.1021/acs.inorgchem.2c04259. Epub 2023 Jan 20.
High-temperature chlorination of the most stable Isolated-Pentagon-Rule (IPR) isomer of fullerene C, -C(3), invariably produces non-IPR CCl, containing one pentagon-pentagon fusion in the carbon cage. High-temperature trifluoromethylation of CCl followed by HPLC separation resulted in the isolation and structure elucidation of eight C(CF) ( = 14, 16, 18) compounds. Structural chemistry of C(CF) and CCl is characterized by the variation of the addition patterns in the region of a pentagon-pentagon fusion. The regiochemistry of CF addition in the remaining cage region is similar to that of the known IPR C(3)(CF) compounds. Theoretical calculations revealed that C(CF) possess lower thermodynamic stability than isomeric IPR derivatives.
高温氯化最稳定的孤立五边形规则（IPR）富勒烯 C 的异构体，-C(3)，总是产生非 IPR CCl，在碳笼中含有一个五边形-五边形融合。CCl 的高温三氟甲基化，然后通过 HPLC 分离，导致了八个 C(CF)（=14、16、18）化合物的分离和结构阐明。C(CF)和 CCl 的结构化学的特点是在五边形-五边形融合区域的加成模式的变化。剩余笼区域中 CF 加成的区域化学与已知的 IPR C(3)(CF)化合物相似。理论计算表明，C(CF)的热力学稳定性低于异构体 IPR 衍生物。
