Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
HALOGEN BOND IN POROUS MATERIALS : RATIONAL SELECTION OF BUILDING BLOCKS. / Novikov, A. S.; Sakhapov, I. F.; Zaguzin, A. S.; Fedin, V. P.; Adonin, S. A.
в: Journal of Structural Chemistry, Том 63, № 11, 11.2022, стр. 1880-1886.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - HALOGEN BOND IN POROUS MATERIALS
T2 - RATIONAL SELECTION OF BUILDING BLOCKS
AU - Novikov, A. S.
AU - Sakhapov, I. F.
AU - Zaguzin, A. S.
AU - Fedin, V. P.
AU - Adonin, S. A.
N1 - Publisher Copyright: © 2022, Pleiades Publishing, Ltd.
PY - 2022/11
Y1 - 2022/11
N2 - Abstract: The ability of a series of 20 halogen-substituted aromatic di-, tri-, and tetracarboxylic acids and 14 halogenated derivatives of 4,4′-bipyridyl to form a halogen bond is estimated by quantum chemical calculations. The comparison of surface electrostatic potentials provides the rational selection of building blocks to obtain the respective porous materials, in particular, metal-organic frameworks and porous organic salts. [Figure not available: see fulltext.].
AB - Abstract: The ability of a series of 20 halogen-substituted aromatic di-, tri-, and tetracarboxylic acids and 14 halogenated derivatives of 4,4′-bipyridyl to form a halogen bond is estimated by quantum chemical calculations. The comparison of surface electrostatic potentials provides the rational selection of building blocks to obtain the respective porous materials, in particular, metal-organic frameworks and porous organic salts. [Figure not available: see fulltext.].
KW - bipyridines
KW - carboxylates
KW - halogen bond
KW - non-covalent interactions
KW - quantum chemical calculations
UR - http://www.scopus.com/inward/record.url?scp=85143743341&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/05fc3eef-35d7-3cac-b588-3b6a0f47b55e/
U2 - 10.1134/s002247662211018x
DO - 10.1134/s002247662211018x
M3 - Article
AN - SCOPUS:85143743341
VL - 63
SP - 1880
EP - 1886
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 11
ER -
ID: 101343458