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Chloro- and Trifluoromethyl Derivatives of a Pentagon-Fused C60: 1810C60Cl24, 1810C60Cl20, and 1810C60(CF3)14статья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 30 июня 2021 г.
- Авторы: Tamm N.B., Brotsman V.A., Sidorov L.N., Troyanov S.I.
- Журнал: Inorganic Chemistry
- Том: 60
- Год издания: 2021
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 6991
- Последняя страница: 6993
- DOI: 10.1021/acs.inorgchem.1c00775
- Аннотация: The carbon cage of Ih-C60, obeying the Isolated-Pentagon Rule (IPR), can be transformed to the non-IPR D2h-1810C60 cage via two successive Stone-Wales rearrangements in the course of high-temperature chlorination of C60 with SbCl5. Two chloro derivatives, C2v-1810C60Cl24 and C2v-1810C60Cl20, have been isolated by HPLC. The high-temperature trifluoromethylation of the chlorination products with CF3I followed by HPLC separation afforded a non-IPR CF3 derivative, Cs-1810C60(CF3)14. Structural elucidation of the isolated compounds revealed that all eight sites of pentagon-pentagon fusions on the carbon cage are preferentially occupied by Cl atoms or CF3 groups According to theoretical DFT calculations, chloro and CF3 derivatives of 1810C60 are more stable than the isomeric derivatives of 1809C60 or IPR 1812C60, possessing, respectively, four or no sites of pentagon fusion in their carbon cages.
- Добавил в систему: Троянов Сергей Игоревич