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Dihydrogen bonding of decahydro-closo-decaborate(2-) and dodecahydro-closo-dodecaborate(2-) anions with proton donors: experimental and theoretical investigationстатья
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 24 марта 2017 г.
- Авторы: Shubina E.S., Bakhmutova E.V., Filin A.M., Sivaev I.B., Teplitskaya L.N., Chistyakov A.L., Stankevich IV, Bakhmutov V.I., Bregadze V.I., Epstein L.M.
- Журнал: Journal of Organometallic Chemistry
- Том: 657
- Номер: 1-2
- Год издания: 2002
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: 155
- Последняя страница: 162
- DOI: 10.1016/S0022-328X(02)01380-3
- Аннотация: The interactions of [Bu4N](2)[B10H10] and [Bu4N](2)[B12H12] with various proton donors (MeOH, EtOH, (PrOH)-O-i, PhOH, 4-FC6H4OH, 4-NO2C6H4OH, CF3CH2OH, (CF3)(2)CHOH, (CF3)(3)COH) in low polarity media were investigated. The site of coordination for [B10H10](2-) and [B12H12](2-) was found to be hydride hydrogen. Spectral (IR, NMR) evidences for the BH (. . .) HO hydrogen bonding between the boron hydrides and the OH proton donors in solution are presented. Spectral (Deltav, Deltav(1/2), DeltaA) and thermodynamic (DeltaHdegrees, DeltaSdegrees) characteristics of the H-complexes were determined. The BH (. . .) HO bonding strength increases from [B12H12](2-) to [B10H10](2-) The geometry, energy, as well as electron distribution in the [B10H10](2-) (HOCH3)-H-., [B10H10](2-) (HOCF3)-H-., [B10H10](2-) (HCN)-H-., and [B12H12]2- .HOCH3 complexes were studied using ab initio HF/6-31G approximation. It was shown that increase of the proton donor ability of acids leads to formation of bifurcate H-bonds. (C) 2002 Elsevier Science B.V. All rights reserved.
- Добавил в систему: Шубина Елена Соломоновна