|
ИСТИНА |
Войти в систему Регистрация |
ИСТИНА ИНХС РАН |
||
The molecular structure of 4-piperidinemethanol in gas, solutions, and solid state: spectral and theoretical investigationsстатья
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 апреля 2019 г.
- Авторы: Korneichuk A.Ya, Senyavin V.M., Kuramshina G.M.
- Журнал: Structural Chemistry
- Том: 30
- Номер: 2
- Год издания: 2019
- Издательство: Springer-Verlag
- Местоположение издательства: Heidelberg, Germany
- Первая страница: 567
- Последняя страница: 582
- DOI: 10.1007/s11224-019-01296-y
- Аннотация: FT-IR (4000–400 cm) spectra of gaseous, solid 4-piperidinemethanol, and its solutions in tetrachloromethane and dichloromethane and Raman spectrum (4000–100 cm) of solid compound have been recorded. Interpretation of spectra has been proposed on a base of joint consideration of experimental data and theoretical predictions of possible 4-piperidinemethanol conformations and its 14 clusters at the B3LYP/6-31+G** and BVP86/TZVP levels of theory. A joint analysis of experimental data with results of potential energy distribution for two conformers and the most stable of 4-piperidinemethanol allowed us to suggest that compound in gaseous state and diluted solutions existed as equilibrium mixture of the most stable 4eNe and the next by stability 4eNa conformations. Solid 4-piperidinemethanol possibly consists of 4eNe chains stabilized by the intermolecular OH…N bonds
- Добавил в систему: Курамшина Гульнара Маратовна
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|