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

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

Bibliographic Details
Parent link:International Journal of Molecular Sciences.— .— Basel: MDPI AG
Vol. 24 - iss. 19.— 2023.— Article number 14642- P. 1-14
Corporate Author: National Research Tomsk Polytechnic University
Other Authors: Radzhabov A. D. Amirbek Dzhurabekovich, Ledneva A. I. Alyona Igorevna, Soldatova N. S. Nataliya Sergeevna, Fedorova I. Irina, Ivanov D. M. Daniil Mikhaylovich, Ivanov A. A. Aleksey Alekseevich, Yusubov M. S. Mekhman Suleiman-Ogly (Suleimanovich), Kukushkin V. Yu. Vadim Yurjevich, Postnikov P. S. Pavel Sergeevich
Summary: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.
Текстовый файл
Published: 2023
Subjects:
halogen bond
diaryliodonium salt
carboxylate
supramolecular assembly
DFT calculations
труды учёных ТПУ
электронный ресурс
Online Access:https://doi.org/10.3390/ijms241914642
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672721

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