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Halogen Bond-Involving Self-Assembly of Iodonium Carboxylates: Adding a Dimension to Supramolecular Architecture

AD. Radzhabov, AI. Ledneva, NS. Soldatova, II. Fedorova, DM. Ivanov, AA. Ivanov, MS. Yusubov, VY. Kukushkin, PS. Postnikov

. 2023 ; 24 (19) : . [pub] 20230927

Language English Country Switzerland

Document type Journal Article

Persistent link   https://www.medvik.cz/link/bmc24001216

Grant support
075-15-2021-585 Ministry of Science and Higher Education of the Russian Federation
23-73-10091 Russian Science Foundation

We designed 0D, 1D, and 2D supramolecular assemblies made of diaryliodonium salts (functioning as double σ-hole donors) and carboxylates (as σ-hole acceptors). The association was based on two charge-supported halogen bonds (XB), which occurred between IIII sites of the iodonium cations and the carboxylate anions. The sequential introduction of the carboxylic groups in the aryl ring of the benzoic acid added a dimension to the 0D supramolecular organization of the benzoate, which furnished 1D-chained and 2D-layered structures when terephthalate and trimesate anions, correspondingly, were applied as XB acceptors. The structure-directing XB were studied using DFT calculations under periodic boundary conditions and were followed by the one-electron-potential analysis and the Bader atoms-in-molecules topological analysis of electron density. These theoretical methods confirmed the existence of the XB and verified the philicities of the interaction partners in the designed solid-state structures.

References provided by Crossref.org

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$a Fedorova, Irina I $u Institute of Chemistry, Saint Petersburg State University, Saint Petersburg 199034, Russia $u Department of Mathematics and Mechanics, Saint Petersburg State University, Saint Petersburg 199034, Russia
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