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

Journal Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779
Output data Year: 2025, Volume: 66, Number: 4, Pages: 669-677 Pages count : 9 DOI: 10.1134/S0022476625040031
Tags quantum crystallography methods, functional materials, hydrogen bonds, dihydrogen contacts, weak interactions
Authors Khainovsky M.A. 1 , Sharaya S.S. 1 , Bogdanov N.E. 1
Affiliations
1 Novosibirsk State University, Novosibirsk, Russia

Abstract: 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.
Cite: 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
Original: 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
Dates:
Submitted: Nov 12, 2024
Accepted: Dec 5, 2024
Published print: Apr 1, 2025
Published online: May 7, 2025
Identifiers:
Scopus: 2-s2.0-105004433535
OpenAlex: W4410174495
Citing: Пока нет цитирований
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