The nature of interactions between [Cu2Cl3]−-based ionic liquid and thiophene – A theoretical study

Renqing Lü; Dong Liu; Yukun Lu; Shutao Wang

doi:10.1016/j.jscs.2013.04.002

Journal of Saudi Chemical Society (May 2016)

The nature of interactions between [Cu2Cl3]−-based ionic liquid and thiophene – A theoretical study

Renqing Lü,
Dong Liu,
Yukun Lu,
Shutao Wang

Affiliations

Renqing Lü: Department of Chemistry, College of Science, China University of Petroleum (East China), Qingdao 266580, Shandong Province, China
Dong Liu: College of Chemical Engineering, China University of Petroleum (East China), Qingdao 266580, Shandong Province, China
Yukun Lu: Department of Chemistry, College of Science, China University of Petroleum (East China), Qingdao 266580, Shandong Province, China
Shutao Wang: Department of Chemistry, College of Science, China University of Petroleum (East China), Qingdao 266580, Shandong Province, China

DOI: https://doi.org/10.1016/j.jscs.2013.04.002
Journal volume & issue: Vol. 20, no. 3
pp. 303 – 306

Abstract

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In an effort to deepen the understanding of nature of interactions between CuCl-based ionic liquids and thiophene, the electronic and topological properties of interactions between 1-butyl-3-methylimidazolium ([BMIM]+[Cu2Cl3]−) and thiophene (TS) have been investigated by the density functional theory. The occurrence of interactions caused by resonance effects between virtual orbitals of Cu and virtual orbitals of thiophene has been corroborated at the molecular level.

Published in Journal of Saudi Chemical Society

ISSN: 1319-6103 (Print)
Publisher: Elsevier
Country of publisher: Saudi Arabia
LCC subjects: Science: Chemistry
Website: https://link.springer.com/journal/44442

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