Interactions Between Building Blocks of the Zn2(BDC)2DABCO Metal-Organic Framework

M. R. Ryzhikov; S. G. Kozlova

doi:10.1134/S0022476620020018

Interactions Between Building Blocks of the Zn₂(BDC)₂DABCO Metal-Organic Framework

M. R. Ryzhikov, S. G. Kozlova

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

2 Цитирования (Scopus)

Аннотация

It is shown by the methods of quantum chemistry that Zn₂(BDC)₂DABCO crystals are formed due to covalent and dispersion interactions between two-dimensional Zn₂(BDC)₂ layers and DABCO molecules. The crystals contain chiral pseudo one-dimensional chains composed only of left-twisted or right-twisted DABCO molecules and {Zn₂(O₂C)₄} fragments arranged parallel to the vector c of the Zn₂(BDC)₂DABCO crystal.

Язык оригинала	английский
Страницы (с-по)	161-165
Число страниц	5
Журнал	Journal of Structural Chemistry
Том	61
Номер выпуска	2
DOI	https://doi.org/10.1134/S0022476620020018
Состояние	Опубликовано - 1 февр. 2020

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Interactions Between Building Blocks of the Zn₂(BDC)₂DABCO Metal-Organic Framework. / Ryzhikov, M. R.; Kozlova, S. G.

В: Journal of Structural Chemistry, Том 61, № 2, 01.02.2020, стр. 161-165.

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

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AU - Kozlova, S. G.

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N2 - It is shown by the methods of quantum chemistry that Zn2(BDC)2DABCO crystals are formed due to covalent and dispersion interactions between two-dimensional Zn2(BDC)2 layers and DABCO molecules. The crystals contain chiral pseudo one-dimensional chains composed only of left-twisted or right-twisted DABCO molecules and {Zn2(O2C)4} fragments arranged parallel to the vector c of the Zn2(BDC)2DABCO crystal.

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KW - chirality

KW - density functional theory

KW - intermolecular interactions

KW - periodic calculations

KW - Zn(BDC)DABCO

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