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Understanding the structure of salicyl hydrazone metallocomplexes: crystal structure, AIM and Hirshfeld surface analysis of trichloro-(N-salicylidenebenzoylhydrazinato-N,O,O′)-tin(IV)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: 18 марта 2017 г.
- Авторы: Korlyukov Alexander A., Shmatkova Natalia V., Seifullina Inna I., Vologzhanina Anna V.
- Журнал: Structural Chemistry
- Том: 27
- Номер: 1
- Год издания: 2016
- Издательство: Springer-Verlag
- Местоположение издательства: Heidelberg, Germany
- Первая страница: 25
- Последняя страница: 36
- DOI: 10.1007/s11224-015-0612-x
- Аннотация: The results of detailed experimental and theoretical study of chemical intra- and intermolecular bonding of salicyl hydrazone complex with SnCl3 are described. The chemical bonding pattern in the crystal and isolated molecule is described in terms of Bader’s “Atoms in Molecules” (AIM) theory. Analysis of AIM charges has revealed that amount of charge transferred from ligand to SnCl3 moiety is equal to ≈ 0.3 e that leads to significant redistribution of bond lengths as compared to other tin(IV) salicyl hydrazonates. Comparison of geometry and characteristics of electron density distribution indicates the weakening of coordination Sn–O and Sn–N bonds in isolated molecule in comparison with crystal up to 10 kcal/mol. This effect was explained by the intermolecular H···Cl bonding. According to the Hirshfeld surface analysis, these interactions have the most pronounced contribution to the crystal packing energy. The significance of the present article lies in both the detailed inspection of the crystal packing effect on the coordination bonds of the tin(IV) atom and intermolecular interactions governing the supramolecular self-assembly of hydrogen-bonded chains by means of specific interactions and π···π stacking.
- Добавил в систему: Вологжанина Анна Владимировна