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Parametric Evaluation of the Energy of Tetrel Bonds in Complexes of Tetrahedral Molecules with Ammonia and Halide Anionsстатья
Информация о цитировании статьи получена из
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 15 февраля 2024 г.
- Авторы: Bartashevich E.V., Mukhitdinova S.E., Klyuev I.V., Tsirelson V.G.
- Журнал: Russian Journal of Physical Chemistry A
- Том: 97
- Номер: 11
- Год издания: 2023
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 2449
- Последняя страница: 2456
- DOI: 10.1134/s0036024423110043
- Аннотация: The electronic properties of weak and strong tetrel bonds (TtBs) formed by the elements of the carbonsubgroup Tt = C, Si, Ge, Sn, Pb, which provide their subatomic electrophilic site for noncovalent interactions,have been studied. Generalized quantitative models for evaluating the energy of tetrel bonds were obtained for a large sample of molecular complexes formed by halide anions or ammonia molecule with tetrahedral molecules used as an example. The replacement of the nucleophilic fragment in the complexes leads to different trends for the dependences of the interaction energy on the electronic characteristic of the bond. The minimum of the electrostatic potential on the line of the tetrel bond proved to be the most universal factor suitable for quantitative comparison of both weak and relatively strong bonds within a single parametric model.
- Добавил в систему: Цирельсон Владимир Григорьевич