Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach

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Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach. / Khainovsky, M. A.; Sharaya, S. S.; Bogdanov, N. E.

в: Journal of Structural Chemistry, Том 66, № 4, 07.05.2025, стр. 669-677.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{0a8cb465fe5a48daa2ee492e69bfd949,

title = "Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach",

abstract = "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.",

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

author = "Khainovsky, {M. A.} and Sharaya, {S. S.} and Bogdanov, {N. E.}",

note = "This work was funded by the Russian Science Foundation (project No. 24-23-00410), https://rscf.ru/project/24-23-00410/. Authors express the gratitude to professor, Dr. Elena Boldyreva and Dr. Boris Zakharov for fruitful discussions. Khainovsky, M. A. Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach / M. A. Khainovsky, S. S. Sharaya, N. E. Bogdanov // Journal of Structural Chemistry. – 2025. – Vol. 66, No. 4. – P. 669-677. – DOI 10.1134/S0022476625040031.",

year = "2025",

month = may,

day = "7",

doi = "10.1134/S0022476625040031",

language = "English",

volume = "66",

pages = "669--677",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

publisher = "Springer",

number = "4",

}

RIS

TY - JOUR

T1 - Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach

AU - Khainovsky, M. A.

AU - Sharaya, S. S.

AU - Bogdanov, N. E.

N1 - This work was funded by the Russian Science Foundation (project No. 24-23-00410), https://rscf.ru/project/24-23-00410/. Authors express the gratitude to professor, Dr. Elena Boldyreva and Dr. Boris Zakharov for fruitful discussions. Khainovsky, M. A. Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach / M. A. Khainovsky, S. S. Sharaya, N. E. Bogdanov // Journal of Structural Chemistry. – 2025. – Vol. 66, No. 4. – P. 669-677. – DOI 10.1134/S0022476625040031.

PY - 2025/5/7

Y1 - 2025/5/7

N2 - 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.

AB - 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.

KW - dihydrogen contacts

KW - functional materials

KW - hydrogen bonds

KW - quantum crystallography methods

KW - weak interactions

UR - https://www.mendeley.com/catalogue/365854f5-a677-3abe-9d21-f360d45ea688/

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-105004433535&origin=inward&txGid=699d3b98bf78151e5575937e4c1558d4

UR - https://elibrary.ru/item.asp?id=82272131

U2 - 10.1134/S0022476625040031

DO - 10.1134/S0022476625040031

M3 - Article

VL - 66

SP - 669

EP - 677

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 4

ER -

ID: 66252259