Anion-π-interaction–a valuable connection in supramolecular chemistry
Ćoćić D, Đorđević S, Radenković S, Puchta R (2025)
Publication Type: Journal article
Publication year: 2025
Journal
DOI: 10.1080/00958972.2025.2551042
Abstract
Based on DFT calculations (ωB97XD/def-TZVP) throughout this report we have examined the affinity of container-like molecules to accommodate halogenide anions. Those container-like molecules consist of two planar systems (triazine, cyanuric acid, boroxine and benzene) linked by three diethylamine groups. Selected host for halogenide anions accommodation were mainly chosen based on their different π-acidity or π-basicity properties. Besides investigation of encapsulation affinity of selected hosts, additional study of their proton affinity and aromaticity properties, measured through NICS aromaticity indices and magnetically induced current densities, was also carried out. Those additional studies were performed before and after encapsulation of guest halogenides, with the aim of finding the connection between those properties and encapsulation energy.
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Serbia (RS)How to cite
APA:
Ćoćić, D., Đorđević, S., Radenković, S., & Puchta, R. (2025). Anion-π-interaction–a valuable connection in supramolecular chemistry. Journal of Coordination Chemistry. https://doi.org/10.1080/00958972.2025.2551042
MLA:
Ćoćić, Dušan, et al. "Anion-π-interaction–a valuable connection in supramolecular chemistry." Journal of Coordination Chemistry (2025).
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