NON-COVALENT INTERATOMIC INTERACTIONS IN TETRAFLUORO-SUBSTITUTED ZINC PHTHALOCYANINE
- 28 December 2022
- journal article
- research article
- Published by Pleiades Publishing Ltd in Journal of Structural Chemistry
- Vol. 63 (12) , 1923-1928
Abstract
Interatomic interactions in four zinc(II) phthalocyanine tetrafluoro derivatives with substituents in non-peripheral positions are analyzed by quantum chemistry methods. Regions of non-covalent interactions are discovered between H⋯N and F⋯N contacts; the energies of interaction between the corresponding atoms are determined. It is shown that the relative energy of considered compounds increases with the increasing number of short F⋯F contacts.Keywords
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