Weak Interactions and Its Topological Characteristics in (R)-3-Quinuclidinol Crystals: A Quantum Crystallography Approach | Sciact - CRIS-system of Boreskov Institute of Catalysis

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

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

Submitted:	Nov 12, 2024
Accepted:	Dec 5, 2024
Published print:	Apr 1, 2025
Published online:	May 7, 2025

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

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