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. / Хайновский, Марк Андреевич ; Шарая, Светлана Сергеевна ; Богданов, Никита Евгеньевич.

In: Журнал структурной химии, Vol. 66, No. 4, 142756, 2025.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{ae413f32e1b045cf87616da673037969,

title = "Weak interactions and its topological characteristics in (R)-3-quinuclidinol crystals: a quantum crystallography approach",

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 = "QUANTUM CRYSTALLOGRAPHY METHODS, FUNCTIONAL MATERIALS, HYDROGEN BONDS, DIHYDROGEN CONTACTS, WEAK INTERACTIONS",

author = "Хайновский, {Марк Андреевич} and Шарая, {Светлана Сергеевна} and Богданов, {Никита Евгеньевич}",

note = "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 // Журнал структурной химии. – 2025. – Vol. 66, No. 4. – P. 142756. – DOI 10.26902/JSC_id142756. – EDN JZLIZB. This work was funded by the Russian Science Foundation (project No. 24-23-00410), https://rscf.ru/project/24-23-00410/.",

year = "2025",

doi = "10.26902/JSC_id142756",

language = "English",

volume = "66",

journal = "Журнал структурной химии",

issn = "0136-7463",

number = "4",

}

RIS

TY - JOUR

T1 - Weak interactions and its topological characteristics in (R)-3-quinuclidinol crystals: a quantum crystallography approach

AU - Хайновский, Марк Андреевич

AU - Шарая, Светлана Сергеевна

AU - Богданов, Никита Евгеньевич

N1 - 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 // Журнал структурной химии. – 2025. – Vol. 66, No. 4. – P. 142756. – DOI 10.26902/JSC_id142756. – EDN JZLIZB. This work was funded by the Russian Science Foundation (project No. 24-23-00410), https://rscf.ru/project/24-23-00410/.

PY - 2025

Y1 - 2025

N2 - 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 - 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 - QUANTUM CRYSTALLOGRAPHY METHODS

KW - FUNCTIONAL MATERIALS

KW - HYDROGEN BONDS

KW - DIHYDROGEN CONTACTS

KW - WEAK INTERACTIONS

UR - https://www.elibrary.ru/item.asp?id=81023687

UR - https://jsc.niic.nsc.ru/article/142756/

U2 - 10.26902/JSC_id142756

DO - 10.26902/JSC_id142756

M3 - Article

VL - 66

JO - Журнал структурной химии

JF - Журнал структурной химии

SN - 0136-7463

IS - 4

M1 - 142756

ER -

ID: 74083865