| Autor: |
Radzhabov AD; Research School of Chemistry and Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia., Ledneva AI; Research School of Chemistry and Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia., Soldatova NS; Research School of Chemistry and Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia., Fedorova II; Institute of Chemistry, Saint Petersburg State University, Saint Petersburg 199034, Russia.; Department of Mathematics and Mechanics, Saint Petersburg State University, Saint Petersburg 199034, Russia., Ivanov DM; Research School of Chemistry and Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia.; Institute of Chemistry, Saint Petersburg State University, Saint Petersburg 199034, Russia., Ivanov AA; Research School of Chemistry and Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia., Yusubov MS; Research School of Chemistry and Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia., Kukushkin VY; Institute of Chemistry, Saint Petersburg State University, Saint Petersburg 199034, Russia.; Institute of Chemistry and Pharmaceutical Technologies, Altai State University, Barnaul 656049, Russia., Postnikov PS; Research School of Chemistry and Applied Biomedical Sciences, Tomsk Polytechnic University, Tomsk 634050, Russia.; Department of Solid State Engineering, Institute of Chemical Technology, 16628 Prague, Czech Republic. |
| Abstrakt: |
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 I III 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. |
