Research output: Contribution to journal › Article › peer-review
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.].
Original language | English |
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Pages (from-to) | 1880-1886 |
Number of pages | 7 |
Journal | Journal of Structural Chemistry |
Volume | 63 |
Issue number | 11 |
DOIs | |
State | Published - Nov 2022 |
ID: 101343458