|
ИСТИНА |
Войти в систему Регистрация |
ИПМех РАН |
||
Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium$\unicodecdots$$\uppi$ Chalcogen Bondingстатья Электронная публикация
Статья опубликована в высокорейтинговом журнале
Статья опубликована в журнале из списка Web of Science и/или Scopus- Авторы: Sapronov Alexander A., Artemjev Alexey A., Burkin Gleb M., Khrustalev Victor N., Kubasov Alexey S., Nenajdenko Valentine G., Gomila Rosa M., Frontera Antonio, Kritchenkov Andreii S., Tskhovrebov Alexander G.
- Журнал: International Journal of Molecular Sciences
- Том: 23
- Номер: 23
- Год издания: 2022
- Издательство: MDPI
- Местоположение издательства: Basel, Switzerland
- Номер статьи: 14973
- DOI: 10.3390/ijms232314973
- Аннотация: The series of benzylic-substituted 1,2,4-selenodiazolium salts were prepared via cyclization reaction between 2-pyridylselenyl chlorides and nitriles and fully characterized. Substitution of the Cl anion by weakly binding anions promoted the formation supramolecular dimers featuring four center Se2N2 chalcogen bonding and two antiparallel selenium⋯π interactions. Chalcogen bonding interactions were studied using density functional theory calculations, molecular electrostatic potential (MEP) surfaces, the quantum theory of atoms-in-molecules (QTAIM), and the noncovalent interaction (NCI) plot. The investigations revealed fundamental role of the selenium⋯π contacts that are stronger than the Se⋯N interactions in supramolecular dimers. Importantly, described herein, the benzylic substitution approach can be utilized for reliable supramolecular dimerization of selenodiazolium cations in the solid state, which can be employed in supramolecular engineering.
- Добавил в систему: Ненайденко Валентин Георгиевич