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Issue 41, 2007
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A RISM approach to the liquid structure and solvation properties of ionic liquids

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Abstract

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.

Graphical abstract: A RISM approach to the liquid structure and solvation properties of ionic liquids

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Publication details

The article was received on 06 Jun 2007, accepted on 20 Aug 2007 and first published on 30 Aug 2007


Article type: Paper
DOI: 10.1039/B708530C
Citation: Phys. Chem. Chem. Phys., 2007,9, 5576-5581
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    A RISM approach to the liquid structure and solvation properties of ionic liquids

    S. Bruzzone, M. Malvaldi and C. Chiappe, Phys. Chem. Chem. Phys., 2007, 9, 5576
    DOI: 10.1039/B708530C

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