Dynamics, Phase Transitions, and Hydrogen Bonding Motifs in Protic Ionic Liquids: Cations Make the Difference | Sciact - CRIS-system of Boreskov Institute of Catalysis

Dynamics, Phase Transitions, and Hydrogen Bonding Motifs in Protic Ionic Liquids: Cations Make the Difference Full article

Journal

The Journal of Physical Chemistry B
ISSN: 1520-6106 , E-ISSN: 1520-5207

Output data

Year: 2025, Volume: 129, Number: 30, Pages: 7796–7805 Pages count : 10 DOI: 10.1021/acs.jpcb.5c02460

Tags

QUADRUPOLE COUPLING-CONSTANTS; DEUTERON MAGNETIC-RESONANCE; ELECTROCHEMICAL PROPERTIES; PHOSPHONIUM; WATER; TIME

Authors

Khudozhitkov Alexander E. ¹ , Stange Peter ² , Stepanov Alexander G. ¹ , Schröder Daniel ³ , Rauber Daniel ³ , Philippi Frederik ³ , Kolokolov Daniil I. ^1,4 , Ludwig Ralf ^2,5

Affiliations

1	Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademik Lavrentiev 5, Novosibirsk 630090, Russia
2	Institut für Chemie, Abteilung für Physikalische Chemie, Universität Rostock, Dr.-Lorenz-Weg 2, Rostock 18059, Germany
3	Department of Chemistry, Saarland University, Saarland. Campus B 2.2, Saarbrücken 66123, Germany
4	Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090, Russia
5	Leibniz-Institut für Katalyse an der Universität Rostock e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany

Funding (2)

1	Russian Science Foundation	24-73-00032
2	German Research Foundation	LU 506/17-1 (Project 470038970)

Compared with their ammonium analogues, phosphonium ionic liquids (PILs) have better thermal stabilities, higher conductivities, and lower viscosities. PILs are therefore more suitable electrolytes for gaining high discharge capacities and rechargeabilities as well as lower Coulombic efficiencies. For understanding the favorable properties at the molecular level in terms of interaction strength and dynamics, we compare the IL tributylammonium methanesulfonate [N444–H][OMs] and tributylphosphonium methanesulfonate [P444–H][OMs] by means of 2H NMR spectroscopy in both solid and liquid states. The shape of the 2H NMR spectral lines and the spin relaxation times provide information about the interaction strength and hydrogen bonding arrangements, as well as the phase transition phenomena for these ILs. The 2H NMR spin relaxation in the liquid state characterizes the cation dynamics and allows for the investigation of the microscopic viscosity. We support our experimental observations by quantum chemical calculations of IL clusters consisting of different numbers of ion pairs.

Khudozhitkov A.E. , Stange P. , Stepanov A.G. , Schröder D. , Rauber D. , Philippi F. , Kolokolov D.I. , Ludwig R.
Dynamics, Phase Transitions, and Hydrogen Bonding Motifs in Protic Ionic Liquids: Cations Make the Difference
The Journal of Physical Chemistry B. 2025. V.129. N30. P.7796–7805. DOI: 10.1021/acs.jpcb.5c02460 WOS AN PMID OpenAlex

Submitted:	Apr 10, 2025
Accepted:	Jul 15, 2025
Published online:	Jul 21, 2025
Published print:	Jul 31, 2025

Web of science:	WOS:001533087800001
Chemical Abstracts:	2025:1728787
PMID:	40692308
OpenAlex:	W4412548824

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