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Mechanistic Studies on the Interaction of [(kappa(3)-P,P,P-NP3)IrH3] [NP3 = N(CH2CH2PPh2)(3)] with HBF4 and Fluorinated Alcohols by Combined NMR, IR, and DFT Techniquesстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 11 марта 2017 г.
- Авторы: Rossin Andrea, Gutsul Evgenii I., Belkova Natalia V., Epstein Lina M., Gonsalvi Luca, Lledos Agusti, Lyssenko Konstantin A., Peruzzini Maurizio, Shubina Elena S., Zanobini Fabrizio
- Журнал: Inorganic Chemistry
- Том: 49
- Номер: 9
- Год издания: 2010
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 4343
- Последняя страница: 4354
- DOI: 10.1021/ic100313j
- Аннотация: The novel indium(III) hydride [(kappa(3)-P,P,P-NP3)IrH3] [NP3 = N(CH2CH2PPh2)(3)] was synthesized and characterized by spectroscopic methods and X-ray crystallography Its reactivity with strong (HBF4) and medium-strength [the fluorinated alcohols 1,1,1-trifluoroethanol (TFE) and 1,1,1,3,3,3-hexafluoroisopropanol (HFIP)] proton donors was investigated through low-temperature IR and multinuclear NMR spectroscopy. In the case of the weak acid TFE, the only species observed in the 190-298 K temperature range was the dihydrogen-bonded adduct between the hydride and the alcohol, while with the stronger acid HBF4, the proton transfer was complete, giving rise to a new intermediate [(kappa(3)-P,P,P-NP3)IrH4](+) With a medium-strength acid like HFIP, two different sets of signals for the intermediate species were observed besides dihydrogen bond formation In all cases, the final reaction product at ambient temperature was found to be the stable dihydride [(kappa(4)-NP3)IrH2](+), after slow molecular dihydrogen release The nature of the short-living species was investigated with the help of density functional theory calculations at the M05-2X//6-31++G(df,pd) level of theory.
- Добавил в систему: Гуцул Евгений Иванович