A model with charges and polarizability for CS<inf>2</inf> in an ionic liquid

30 Nov 2017

© 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.] .