We test for the first time the performance of the reference interaction site model (RISM) to predict the liquid structure and solvation of room-temperature ionic liquids (RTILs) represented with different degrees of accuracy. The model gives satisfactory results, proposing itself as a possible method to explore and to describe at a chemically realistic level the solvation shell in ionic liquids, which is believed to play a fundamental role in the static electronic and vibrational properties of these systems.
|Autori:||Bruzzone S; Malvaldi M; Chiappe C|
|Titolo:||A RISM approach to the liquid structure and solvation properties of ionic liquids|
|Anno del prodotto:||2007|
|Digital Object Identifier (DOI):||10.1039/b708530c|
|Appare nelle tipologie:||1.1 Articolo in rivista|