Eurasian Soil Science. Vol. 55. 2022. P.. 1556-1567
HALOGEN BOND IN POROUS MATERIALS: RATIONAL SELECTION OF BUILDING BLOCKS
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.]. © 2022, Pleiades Publishing, Ltd.
Authors
Novikov A.S. , Sakhapov I.F. , Zaguzin A.S. , Fedin V.P. , Adonin S.A.
Issue number
11
Language
English
Pages
1880-1886
State
Published
Link
Volume
63
Year
2022
Organizations
- 1 St. Petersburg State University, St. Petersburg, Russian Federation
- 2 Peoples’s Friendship University of Russia, Moscow, Russian Federation
- 3 South Ural State University, Chelyabinsk, Russian Federation
- 4 Arbuzov Institute of Organic and Physical Chemistry, Russian Academy of Sciences, Kazan, Russian Federation
- 5 Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russian Federation
Keywords
bipyridines; carboxylates; halogen bond; non-covalent interactions; quantum chemical calculations
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