Bachl, Juergen and Bertran, Oscar and Mayr, Judith and Aleman, Carlos and Diaz Diaz, David (2017) Aromatic ionene topology and counterion-tuned gelation of acidic aqueous solutions. SOFT MATTER, 13 (16). pp. 3031-3041. ISSN 1744-683X, 1744-6848
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Unusual gelation of acidic solutions was achieved using polycations bearing quaternary ammonium moieties. These ionene polymers are based on a disubstituted phenylene dibenzamide core, which allows the construction of different topomers (i.e. ortho-1, meta-2 and para-3). The topology of the polymers was found to play a key role on their aggregation behaviour both in pure water and in a variety of aqueous acidic solutions leading to the formation of stable acidic gels. Specifically, ortho-1 showed superior gelation ability than the analogues meta-2 and para-3 in numerous solutions of different pH and ionic strengths. Lower critical gelation concentrations, higher gel-to-sol transition temperatures and faster gelation were usually observed for ortho-1 regardless the solvent system. Detailed computational molecular dynamic simulations revealed a major role of the counterion (Cl-) and specific polymer(...)polymer interactions. In particular, hydrogen bonds, N-H-...pi interactions and intramolecular pi-pi stacking networks are distinctive in ortho-1. In addition, counterions located at internal hydration regions also affect to such polymer(...)polymer interactions, acting as binders and, therefore, providing additional stability.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MOLECULAR-DYNAMICS SIMULATION; SUPRAMOLECULAR HYDROGELS; MECHANICAL-PROPERTIES; POLYMERS; AGENTS; SALTS; WATER; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Organische Chemie > Arbeitskreis Prof. Dr. David Díaz Díaz |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2018 13:10 |
| Last Modified: | 26 Feb 2019 08:21 |
| URI: | https://pred.uni-regensburg.de/id/eprint/1010 |
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