volume 138 issue 32 pages 10076-10079

A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals

Publication typeJournal Article
Publication date2016-08-08
scimago Q1
wos Q1
SJR5.554
CiteScore22.5
Impact factor15.6
ISSN00027863, 15205126
PubMed ID:  27479022
General Chemistry
Catalysis
Biochemistry
Colloid and Surface Chemistry
Abstract
Volume-based prediction of melting points and other properties of ionic liquids (ILs) relies on empirical relations with volumes of ions in these low-melting organic salts. Here we report an accurate way to ionic volumes by Bader's partitioning of electron densities from X-ray diffraction obtained via a simple database approach. For a series of 1-tetradecyl-3-methylimidazolium salts, the volumes of different anions are found to correlate linearly with melting points; larger anions giving lower-melting ILs. The volume-based concept is transferred to ionic liquid crystals (ILs that adopt liquid crystalline mesophases, ILCs) for predicting the domain of their existence from the knowledge of their constituents. For 1-alkyl-3-methylimidazolium ILCs, linear correlations of ionic volumes with the occurrence of LC mesophase and its stability are revealed, thus paving the way to rational design of ILCs by combining suitably sized ions.
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GOST Copy
Nelyubina Y. V. et al. A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals // Journal of the American Chemical Society. 2016. Vol. 138. No. 32. pp. 10076-10079.
GOST all authors (up to 50) Copy
Nelyubina Y. V., Shaplov A. S., Lozinskaya E. I., Buzin M. I., Vygodskii Y. S. A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals // Journal of the American Chemical Society. 2016. Vol. 138. No. 32. pp. 10076-10079.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1021/jacs.6b05174
UR - https://doi.org/10.1021/jacs.6b05174
TI - A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals
T2 - Journal of the American Chemical Society
AU - Nelyubina, Yulia V.
AU - Shaplov, Alexander S.
AU - Lozinskaya, Elena I
AU - Buzin, M. I.
AU - Vygodskii, Yakov S.
PY - 2016
DA - 2016/08/08
PB - American Chemical Society (ACS)
SP - 10076-10079
IS - 32
VL - 138
PMID - 27479022
SN - 0002-7863
SN - 1520-5126
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2016_Nelyubina,
author = {Yulia V. Nelyubina and Alexander S. Shaplov and Elena I Lozinskaya and M. I. Buzin and Yakov S. Vygodskii},
title = {A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals},
journal = {Journal of the American Chemical Society},
year = {2016},
volume = {138},
publisher = {American Chemical Society (ACS)},
month = {aug},
url = {https://doi.org/10.1021/jacs.6b05174},
number = {32},
pages = {10076--10079},
doi = {10.1021/jacs.6b05174}
}
MLA
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MLA Copy
Nelyubina, Yulia V., et al. “A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.” Journal of the American Chemical Society, vol. 138, no. 32, Aug. 2016, pp. 10076-10079. https://doi.org/10.1021/jacs.6b05174.