Watanabe, Hikari and Arai, Nana and Kameda, Yasuo and Buchner, Richard and Umebayashi, Yasuhiro (2020) Effect of Bronsted Acidity on Ion Conduction in Fluorinated Acetic Acid and N-Methylimidazole Equimolar Mixtures as Pseudo-protic Ionic Liquids. JOURNAL OF PHYSICAL CHEMISTRY B, 124 (49). pp. 11157-11164. ISSN 1520-6106, 1520-5207
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To clarify proton conduction mechanism in protic ionic liquids (PILs) and pseudo-PILs (pPILs), equimolar mixtures of N-methylimidazole (C(1)Im) with fluorinated acetic acids were investigated by Raman spectroscopy, X-ray scattering, and dielectric relaxation spectroscopy (DRS). Only the ionic species exist in the equimolar mixture of C(1)Im and HTFA (HTFA: trifluoroacetic acid). On the other hand, the equimolar mixture of C(1)Im and HDFA (HDFA: difluoroacetic acid) consists of both ionic and electrically neutral species. In particular, not only the electrostatic but also van der Waals interactions with the F atoms were observed in the liquid structures of both [C(1)hIm(+)][TFA(-)] and [C(1)hIm(+)][DFA(-)]. The concept for proton conduction mechanism that we have proposed in previous study was revisited; the proton conduction mechanism could be classified with two linear free energy relationship lines for proton exchange reaction and translation/rotation of proton carriers. Our results exhibit that the proton conduction mechanism changes from proton hopping to vehicle mechanism with increasing acidity of an acid HA in PILs.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ATOM FORCE-FIELD; AQUEOUS-SOLUTION; BASE PROPERTY; DYNAMICS; NEUTRALIZATION; SIMULATIONS; SOLVATION; MECHANISM; BEAMLINE; BL04B2; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > PD Dr. Richard Buchner |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 05 Mar 2021 07:53 |
| Last Modified: | 05 Mar 2021 07:53 |
| URI: | https://pred.uni-regensburg.de/id/eprint/43149 |
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