Halogen Bond-Involving Self-Assembly of Iodonium Carboxylates: Adding a Dimension to Supramolecular Architecture
| Parent link: | International Journal of Molecular Sciences.— .— Basel: MDPI AG Vol. 24 - iss. 19.— 2023.— Article number 14642- P. 1-14 |
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| Corporate Author: | |
| Other Authors: | , , , , , , , , |
| 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
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| Subjects: | |
| 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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| 200 | 1 | |a Halogen Bond-Involving Self-Assembly of Iodonium Carboxylates: Adding a Dimension to Supramolecular Architecture |f A. D. Radzhabov, A. I. Ledneva, N. S. Soldatova [et al.] |d Галогенная связь, включающая самосборку карбоксилатов иодония: добавление измерения к супрамолекулярной архитектуре |z rus | |
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| 320 | |a References: p. 11-14 (92 tit.) | ||
| 330 | |a 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. | ||
| 336 | |a Текстовый файл | ||
| 461 | 1 | |c Basel |n MDPI AG |t International Journal of Molecular Sciences | |
| 463 | 1 | |d 2023 |t Vol. 24 - iss. 19 |v Article number 14642- P. 1-14 | |
| 610 | 1 | |a halogen bond | |
| 610 | 1 | |a diaryliodonium salt | |
| 610 | 1 | |a carboxylate | |
| 610 | 1 | |a supramolecular assembly | |
| 610 | 1 | |a DFT calculations | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a электронный ресурс | |
| 701 | 1 | |7 ba |8 eng |a Radzhabov |b A. D. |c chemical technologist |c Junior Researcher at Tomsk Polytechnic University |f 1997- |g Amirbek Dzhurabekovich |y Tomsk |9 88552 | |
| 701 | |a Ledneva |b A. I. |g Alyona Igorevna | ||
| 701 | 1 | |a Soldatova |b N. S. |c organic chemist |c engineer of Tomsk Polytechnic University |f 1992- |g Nataliya Sergeevna |9 19363 | |
| 701 | 1 | |a Fedorova |b I. |g Irina | |
| 701 | 1 | |a Ivanov |b D. M. |c Chemist |c Senior researcher of Tomsk Polytechnic University, Candidate of chemical sciences |f 1992- |g Daniil Mikhaylovich |9 22632 | |
| 701 | 1 | |a Ivanov |b A. A. |c specialist in the field of Electrophysics |c engineer of Tomsk Polytechnic University |f 1990- |g Aleksey Alekseevich |9 18840 | |
| 701 | 1 | |a Yusubov |b M. S. |c chemist |c Professor of Tomsk Polytechnic University, Doctor of chemical sciences |f 1961- |g Mekhman Suleiman-Ogly (Suleimanovich) |9 15928 | |
| 701 | 1 | |a Kukushkin |b V. Yu. |g Vadim Yurjevich | |
| 701 | 1 | |a Postnikov |b P. S. |c organic chemist |c Associate Professor of Tomsk Polytechnic University, Candidate of chemical sciences |f 1984- |g Pavel Sergeevich |9 15465 | |
| 712 | 0 | 2 | |a National Research Tomsk Polytechnic University |c (2009- ) |9 27197 |
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