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Title: Structural Origins of Viscosity in Imidazolium and Pyrrolidinium Ionic Liquids Coupled with the NTf 2 – Anion

Abstract

Ionic liquid viscosity is one of the most important properties to consider for practical applications. Yet, the connection between local structure and viscosity remains an open question. This article explores the structural origin of differences in the viscosity and viscoelastic relaxation across several ionic liquids, including cations with alkyl, ether, and thioether tails, of the imidazolium and pyrrolidinium families coupled with the NTf2– anion. In all cases, for the systems studied here, we find that pyrrolidinium-based ions are “harder” than their imidazolium-based counterparts. We make a connection between the chemical concept of hardness vs softness and specific structural and structural dynamic quantities that can be derived from scattering experiments and simulations.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [1];  [3]; ORCiD logo [3];  [3];  [3];  [4]; ORCiD logo [5]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [4]; ORCiD logo [2]; ORCiD logo [1]
+ Show Author Affiliations
  1. Department of Chemistry, The University of Iowa, Iowa City, Iowa 52242, United States
  2. Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States
  3. Department of Chemistry, Queensborough Community College-CUNY, Bayside, New York 11364, United States
  4. Chemistry Division, Brookhaven National Laboratory, Upton, New York 11973-5000, United States
  5. Department of Chemistry, Chiba University, Chiba 263-8522, Japan
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States); Univ. of Iowa, Iowa City, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); National Science Foundation (NSF); USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS)
OSTI Identifier:
1989251
Alternate Identifier(s):
OSTI ID: 1986318; OSTI ID: 1991493
Report Number(s):
BNL-224544-2023-JAAM
Journal ID: ISSN 1520-6106
Grant/Contract Number:  
SC0012704; AC02-06CH11357; CHE-1954358; CHE-1954373
Resource Type:
Published Article
Journal Name:
Journal of Physical Chemistry. B
Additional Journal Information:
Journal Name: Journal of Physical Chemistry. B Journal Volume: 127 Journal Issue: 28; Journal ID: ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; Ionic liquids; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Anions; Cations; Salts; Solvents; Viscosity

Citation Formats

Ogbodo, Raphael, Karunaratne, Waruni V., Acharya, Gobin Raj, Emerson, Matthew S., Mughal, Mehreen, Yuen, Ho Martin, Zmich, Nicole, Nembhard, Shameir, Wang, Furong, Shirota, Hideaki, Lall-Ramnarine, Sharon I., Castner, Jr., Edward W., Wishart, James F., Nieuwkoop, Andrew J., and Margulis, Claudio J. Structural Origins of Viscosity in Imidazolium and Pyrrolidinium Ionic Liquids Coupled with the NTf 2 – Anion. United States: N. p., 2023. Web. doi:10.1021/acs.jpcb.3c02604.
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Ogbodo, Raphael, Karunaratne, Waruni V., Acharya, Gobin Raj, Emerson, Matthew S., Mughal, Mehreen, Yuen, Ho Martin, Zmich, Nicole, Nembhard, Shameir, Wang, Furong, Shirota, Hideaki, Lall-Ramnarine, Sharon I., Castner, Jr., Edward W., Wishart, James F., Nieuwkoop, Andrew J., & Margulis, Claudio J. Structural Origins of Viscosity in Imidazolium and Pyrrolidinium Ionic Liquids Coupled with the NTf 2 – Anion. United States. https://doi.org/10.1021/acs.jpcb.3c02604
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Ogbodo, Raphael, Karunaratne, Waruni V., Acharya, Gobin Raj, Emerson, Matthew S., Mughal, Mehreen, Yuen, Ho Martin, Zmich, Nicole, Nembhard, Shameir, Wang, Furong, Shirota, Hideaki, Lall-Ramnarine, Sharon I., Castner, Jr., Edward W., Wishart, James F., Nieuwkoop, Andrew J., and Margulis, Claudio J. Tue . "Structural Origins of Viscosity in Imidazolium and Pyrrolidinium Ionic Liquids Coupled with the NTf 2 – Anion". United States. https://doi.org/10.1021/acs.jpcb.3c02604.
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@article{osti_1989251,
title = {Structural Origins of Viscosity in Imidazolium and Pyrrolidinium Ionic Liquids Coupled with the NTf 2 – Anion},
author = {Ogbodo, Raphael and Karunaratne, Waruni V. and Acharya, Gobin Raj and Emerson, Matthew S. and Mughal, Mehreen and Yuen, Ho Martin and Zmich, Nicole and Nembhard, Shameir and Wang, Furong and Shirota, Hideaki and Lall-Ramnarine, Sharon I. and Castner, Jr., Edward W. and Wishart, James F. and Nieuwkoop, Andrew J. and Margulis, Claudio J.},
abstractNote = {Ionic liquid viscosity is one of the most important properties to consider for practical applications. Yet, the connection between local structure and viscosity remains an open question. This article explores the structural origin of differences in the viscosity and viscoelastic relaxation across several ionic liquids, including cations with alkyl, ether, and thioether tails, of the imidazolium and pyrrolidinium families coupled with the NTf2– anion. In all cases, for the systems studied here, we find that pyrrolidinium-based ions are “harder” than their imidazolium-based counterparts. We make a connection between the chemical concept of hardness vs softness and specific structural and structural dynamic quantities that can be derived from scattering experiments and simulations.},
doi = {10.1021/acs.jpcb.3c02604},
journal = {Journal of Physical Chemistry. B},
number = 28,
volume = 127,
place = {United States},
year = {Tue Jul 11 00:00:00 EDT 2023},
month = {Tue Jul 11 00:00:00 EDT 2023}
}
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