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Title: Proton conduction in hydronium solvate ionic liquids affected by ligand shape
Authors: Kawata, Kio
Kitada, Atsushi  kyouindb  KAKEN_id  orcid (unconfirmed)
Tsuchida, Naoki
Saimura, Masayuki
Nagata, Takashi  kyouindb  KAKEN_id  orcid (unconfirmed)
Katahira, Masato  kyouindb  KAKEN_id  orcid (unconfirmed)
Fukami, Kazuhiro  kyouindb  KAKEN_id  orcid (unconfirmed)
Murase, Kuniaki  kyouindb  KAKEN_id  orcid (unconfirmed)
Author's alias: 川田, 稀士
北田, 敦
永田, 崇
片平, 正人
深見, 一弘
邑瀬, 邦明
Issue Date: 7-Jan-2021
Publisher: Royal Society of Chemistry (RSC)
Journal title: Physical Chemistry Chemical Physics
Volume: 23
Issue: 1
Start page: 449
End page: 456
Abstract: We investigated the ligand dependence of the proton conduction of hydronium solvate ionic liquids (ILs), consisting of a hydronium ion (H₃O⁺), polyether ligands, and a bis[(trifluoromethyl)sulfonyl]amide anion (Tf₂N⁻; Tf = CF₃SO₂). The ligands were changed from previously reported 18-crown-6 (18C6) to other cyclic or acyclic polyethers, namely, dicyclohexano-18-crown-6 (Dh18C6), benzo-18-crown-6 (B18C6) and pentaethylene glycol dimethyl ether (G5). Pulsed-field gradient spin echo nuclear magnetic resonance results revealed that the protons of H₃O⁺ move faster than those of cyclic 18C6-based ligands but as fast as those of acyclic G5 ligands. Based on these results and density functional theory calculations, we propose that the coordination of a cyclic ether ligand to the H₃O⁺ ion is essential for fast proton conduction in hydronium solvate ILs. Our results attract special interest for many electro- and bio-chemical applications such as electrolyte systems for fuel cells and artificial ion channels for biological cells.
Rights: This is the accepted manuscript of the article, which has been published in final form at
The full-text file will be made open to the public on 8 December 2021 in accordance with publisher's 'Terms and Conditions for Self-Archiving'.
This is not the published version. Please cite only the published version.
DOI(Published Version): 10.1039/d0cp05025c
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