Ionic Liquids under Radiation and the Dimer Radical Dicyanamide Anion

Hung H Nguyen; Katie Huber; Dishan Das; James F Wishart; David A Blank; Claudio J Margulis

doi:10.1021/acs.jpcb.5c07381

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Ionic Liquids under Radiation and the Dimer Radical Dicyanamide Anion

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Ionic Liquids under Radiation and the Dimer Radical Dicyanamide Anion

Hung H Nguyen, Katie Huber, Dishan Das, James F Wishart, David A Blank and Claudio J Margulis

The journal of physical chemistry. B, Vol.129(47), pp.12261-12266

11/27/2025

DOI: 10.1021/acs.jpcb.5c07381

PMCID: PMC12670383

PMID: 41231722

Appears in UI Libraries Support Open Access

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Abstract

Ionic liquids (ILs) used in solar, electrochemical, nuclear, or even space exploration applications will necessarily be exposed to conditions in which electron detachment may occur and transient charge-depleted radical species may form. In a recent article ( , 147, 23395-23398), we studied the different possible kinetic fates of an excess electron in the popular 1-butyl-1-methylpyrrolidinium dicyanamide IL but did not address the nature of electron-deficient transient radical species these leaving electrons produce, the so-called holes. Using pulse radiolysis measurements and first-principles calculations in the bulk and gas phases to interpret these, we show that the most likely hole species in this IL is a dimer radical anion that, somewhat surprisingly, has similar spectral features to the excess electron, including a broad near-infrared absorption band.

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Details

Title: Subtitle: Ionic Liquids under Radiation and the Dimer Radical Dicyanamide Anion
Creators: Hung H Nguyen - University of Iowa
Katie Huber - University of Minnesota
Dishan Das - University of Iowa
James F Wishart - Brookhaven National Laboratory
David A Blank - University of Minnesota System
Claudio J Margulis - University of Iowa
Resource Type: Journal article
Publication Details: The journal of physical chemistry. B, Vol.129(47), pp.12261-12266
DOI: 10.1021/acs.jpcb.5c07381
PMID: 41231722
PMCID: PMC12670383
NLM abbreviation: J Phys Chem B
ISSN: 1520-5207
eISSN: 1520-5207
Publisher: American Chemical Society
Grant note: University of Iowa: NA Basic Energy Sciences: DE-SC0012704 Office of Science: NA
This research at Minnesota was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Condensed Phase and Interfacial Molecular Science (CPIMS) program under DE-SC0024181. The work at Iowa was supported via subcontract from the University of Minnesota under the same support. The work at BNL and the use of the Laser Electron Accelerator Facility of the BNL Accelerator Center for Energy Research was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, under Contract DE-SC0012704. K.H. was supported at BNL by the U.S. Department of Energy Office of Science Graduate Student Research (SCGSR) program. The authors acknowledge usage of the University of Iowa Argon cluster.
Language: English
Electronic publication date: 11/13/2025
Date published: 11/27/2025
Academic Unit: Chemistry
Record Identifier: 9985027357002771

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