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Pathway bifurcations in the cage rearrangement of metallacarboranes: experimental and computational evidenceстатья
Статья опубликована в высокорейтинговом журнале
Статья опубликована в журнале из списка Web of Science и/или Scopus- Авторы: Vinogradov Mikhail M., Nesterov Ivan D., Nelyubina Yulia V., Pavlov Alexander A.
- Журнал: Dalton Transactions
- Год издания: 2021
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- DOI: 10.1039/D0DT03538F
- Аннотация: Thirteen new metallacarborane complexes of rhodium and iridium with covalently binded cage carbon atoms were synthesized and their thermal stability was investigated. Two iridium complexes undergo polyhedral rearrangement with a formation of more than one isomer. The structures of new isomers were determined by a single crystal X-ray diffraction analysis and 11B{1H}−11B{1H} COSY NMR. A full isomerization scheme of the less thermally stable complex was proposed based on DFT calculations. According to this mechanism sequential downhill and uphill bifurcations arise on the reaction pathway. Each bifurcation is responsible for a new product formation.
- Добавил в систему: Виноградов Михаил Михайлович
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|---|---|---|---|---|
| 1. | Полный текст | D0DT03538F.pdf | 3,7 МБ | 25 ноября 2020 [VinogradovMM] |