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Non-rigid molecule of copper(II) diiminate Cu[CF3C(NH)C(F)C(NH)CF3]2, its conformational polymorphism in crystal and structure in solutions (Raman, UV–vis and quantum chemistry study)статья
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: 24 марта 2017 г.
- Авторы: Bukalov Sergey S., Aysin Rinat R., Leites Larissa A., Kurykin Mikhail A., Khrustalev Victor N.
- Журнал: Journal of Molecular Structure
- Том: 1098
- Год издания: 2015
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: 246
- Последняя страница: 254
- DOI: 10.1016/j.molstruc.2015.06.002
- Аннотация: Calculation of potential energy surface (PES) of isolated molecule of copper(II) diiminate Cu[CF3С(NH) C(F)C(NH)CF3]2 (1) resulted a double-well curve with the minima corresponding to equivalent screwed conformations. The low barrier leads to molecular non-rigidity which seems to be the reason of conformational polymorphism in crystals, reported in [1]. For one of newly found polymorphs, the X-ray structure was determined. The differences in the Raman and UVevis spectra between differently colored species and their solutions were revealed, they are determined by different geometries of Cu(II) coordination polyhedron and different systems of intermolecular interactions in crystals. Transformations of the polymorphs under thermal, mechanical and photo exposures were studied.
- Добавил в систему: Айсин Ринат Равильевич