Weak Interactions and Its Topological Characteristics in (R)-3-Quinuclidinol Crystals: A Quantum Crystallography Approach | Sciact - CRIS-система Института катализа

Weak Interactions and Its Topological Characteristics in (R)-3-Quinuclidinol Crystals: A Quantum Crystallography Approach Научная публикация

Журнал

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Вых. Данные

Год: 2025, Том: 66, Номер: 4, Страницы: 669-677 Страниц : 9 DOI: 10.1134/S0022476625040031

Ключевые слова

quantum crystallography methods, functional materials, hydrogen bonds, dihydrogen contacts, weak interactions

Авторы

Khainovsky M.A. ¹ , Sharaya S.S. ¹ , Bogdanov N.E. ¹

Организации

1	Novosibirsk State University, Novosibirsk, Russia

Intermolecular interactions in the crystal structure of organic ferroelectric (R)-3-quinuclidinol were studied in DFT framework. Electron density features of (R)-3-quinuclidinol crystals were revealed; new dihydrogen contacts were found. The role of hydrogen and dihydrogen contacts in the whole intermolecular interactions net was established.

Khainovsky M.A. , Sharaya S.S. , Bogdanov N.E.
Weak Interactions and Its Topological Characteristics in (R)-3-Quinuclidinol Crystals: A Quantum Crystallography Approach
Journal of Structural Chemistry. 2025. V.66. N4. P.669-677. DOI: 10.1134/S0022476625040031 Scopus OpenAlex

Khainovsky M.A. , Sharaya S.S. , Bogdanov N.E.
Weak Interactions and Its Topological Characteristics in (R)-3-Quinuclidinol Crystals: A Quantum Crystallography Approach
Журнал структурной химии. 2025. V.66. N4. 142756 :1-4. DOI: 10.26902/JSC_id142756 OpenAlex

Поступила в редакцию:	12 нояб. 2024 г.
Принята к публикации:	5 дек. 2024 г.
Опубликована в печати:	1 апр. 2025 г.
Опубликована online:	7 мая 2025 г.

Scopus:	2-s2.0-105004433535
OpenAlex:	W4410174495

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