• RUTH M LYNDEN-BELL

      Articles written in Journal of Chemical Sciences

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

      RUTH M LYNDEN-BELL ANTHONY J STONE

      More Details Abstract Fulltext PDF

      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 forthe static electrostatic distribution in the CS₂ 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 CS₂ in an ionic liquid, [dmim][NTf₂].

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