Chemistry Department, Moscow State University, Leninskie Gory, 119991 Moscow, Russia.
Inorg Chem. 2012 Nov 5;51(21):11226-8. doi: 10.1021/ic301650j. Epub 2012 Oct 10.
A novel case of chlorination-promoted skeletal transformation in higher fullerenes is reported. Chlorination of C(82) [isolated pentagon rule (IPR) isomer no. 3] with SbCl(5) results in two consecutive Stone-Wales rearrangements into non-IPR C(82)Cl(28) with one pair of fused pentagons. An extensive theoretical study of the transformation pathways in C(82) revealed that the thermodynamically favorable rearrangement into non-IPR C(82)Cl(28) needs a comparatively low activation energy.
报道了一例新型的高富勒烯的氯化促进的骨架转化。用 SbCl(5)氯化 C(82)[孤立的五边形规则 (IPR)异构体编号 3]导致两个连续的 Stone-Wales 重排，生成具有一对融合五边形的非 IPR C(82)Cl(28)。对 C(82)中转化途径的广泛理论研究表明，热力学有利的非 IPR C(82)Cl(28)重排需要相对较低的活化能。
