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A model with charges and polarizability for CS2 in an ionic liquid

Accepted version
Peer-reviewed

Type

Article

Change log

Authors

Stone, AJ 

Abstract

© 2017, Indian Academy of Sciences. The environment of a solute molecule in an ionic liquid is likely to have large fluctuating electrostatic fields, and so the electrostatic properties of such a solute including its charge distribution and its polarizability may make a difference to both its static and dynamic properties. We have developed a new model for the static electrostatic distribution in the CS 2 molecule with 7 charged sites and anisotropic polarizability on the carbon site and isotropic polarizability on the sulfurs. We have investigated static and dynamic properties of the neat liquid and solutions of CS 2 in an ionic liquid, [dmim][NTf 2 ]. [Figure not available: see fulltext.] .

Description

Keywords

CS2, electrostatic model, site polarizability model, ionic liquid solutions

Journal Title

Journal of Chemical Sciences

Conference Name

Journal ISSN

0974-3626
0973-7103

Volume Title

129

Publisher

Springer Science and Business Media LLC