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 |
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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 | ||
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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
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
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:
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