Dhumal, N. R., Kiefer, J., Turton, D., Wynne, K. and Kim, H. J. (2017) Dielectric relaxation of the ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate: microwave and far-IR properties. Journal of Physical Chemistry B, 121(18), pp. 4845-4852. (doi: 10.1021/acs.jpcb.7b00160) (PMID:28440638)
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Abstract
Dielectric relaxation of the ionic liquid, 1-ethyl-3-methylimidazolium ethyl sulfate (EMI+ETS–), is studied using molecular dynamics (MD) simulations. The collective dynamics of polarization arising from cations and anions are examined. Characteristics of the rovibrational and translational components of polarization dynamics are analyzed to understand their respective roles in the microwave and terahertz regions of dielectric relaxation. The MD results are compared with the experimental low-frequency spectrum of EMI+ETS–, obtained via ultrafast optical Kerr effect (OKE) measurements.
| Item Type: | Articles |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Turton, Dr David and Wynne, Professor Klaas |
| Authors: | Dhumal, N. R., Kiefer, J., Turton, D., Wynne, K., and Kim, H. J. |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Journal of Physical Chemistry B |
| Publisher: | American Chemical Society |
| ISSN: | 1520-6106 |
| ISSN (Online): | 1520-5207 |
| Published Online: | 25 April 2017 |
| Copyright Holders: | Copyright © 2017 American Chemical Society |
| First Published: | First published in Journal of Physical Chemistry B 121(18):4845-4852 |
| Publisher Policy: | Reproduced under a Creative Commons License |
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