Tamm Nadezhda B, Brotsman Victor A, Markov Vitaliy Yu, Troyanov Sergey I
Chemistry Department, Moscow State University, Leninskie gory, Moscow 119991, Russia.
Inorg Chem. 2020 Aug 3;59(15):10400-10403. doi: 10.1021/acs.inorgchem.0c01510. Epub 2020 Jul 10.
The isolated-pentagon-rule (IPR) -C fullerene is least susceptible to skeletal transformations in comparison with higher fullerenes and even C. A cage transformation in IPR C via a one-step Stone-Wales rearrangement was accomplished by high-temperature (440 °C) ampule chlorination with SbCl. Subsequent dechlorination at 450 °C, followed by high-performance liquid chromatography separation, allowed the isolation of non-IPR CCl and CCl. X-ray diffraction study revealed the presence of an unprecedented C carbon cage, possessing two pairs of fused pentagons and the chlorination patterns located on one cage hemisphere. A high energetic and thermal stability of both non-IPR chlorides was also confirmed by theoretical calculations of formation energies. Pathways of skeletal transformations of IPR C in comparison with those in C are discussed.
与更高的富勒烯甚至C相比，孤立五边形规则（IPR）-C富勒烯最不易发生骨架转变。通过用SbCl进行高温（440°C）安瓿氯化，实现了IPR C中通过一步斯通-威尔士重排的笼状转变。随后在450°C进行脱氯，然后通过高效液相色谱分离，分离出非IPR CCl和CCl。X射线衍射研究表明存在一种前所未有的C碳笼，它具有两对稠合五边形且氯化模式位于一个笼半球上。形成能的理论计算也证实了两种非IPR氯化物都具有高能量稳定性和热稳定性。讨论了IPR C与C中骨架转变的途径。
