Weak Interactions and Its Topological Characteristics in (R)-3-Quinuclidinol Crystals: A Quantum Crystallography Approach Full article
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Журнал структурной химии
ISSN: 0136-7463 |
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| Output data | Year: 2025, Volume: 66, Number: 4, Article number : 142756, Pages count : 4 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
Журнал структурной химии. 2025. V.66. N4. 142756 :1-4. DOI: 10.1134/S0022476625040031
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: 10.1134/S0022476625040031
Dates:
| Submitted: | Nov 12, 2024 |
| Accepted: | Dec 5, 2024 |
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