ChemPhysChem

Cover image for Vol. 17 Issue 14

Editor: Greta Heydenrych; Editorial Board Chairs: Christian Amatore, Michael Grätzel, Michel Orrit

Impact Factor: 3.138

ISI Journal Citation Reports © Ranking: 2015: 8/35 (Physics Atomic Molecular & Chemical); 50/144 (Chemistry Physical)

Online ISSN: 1439-7641

Associated Title(s): Advanced Materials, ChemBioChem, ChemCatChem, ChemElectroChem, ChemSusChem, Small

9_11/2008Cover Picture: Application of Static Charge Transfer within an Ionic-Liquid Force Field and Its Effect on Structure and Dynamics (ChemPhysChem 11/2008)

The cover picture illustrates that the calculated physical properties of ionic liquids can be tuned through uniform scaling of atomic charges to give ions with total charges less than ±1. For ionic liquids which possess strong hydrogen bonding interactions between the cation and anion (as is the case for 1,3-dimethylimidazolium chloride, the subject of this study) using ionic charges of ±1 tends to overestimate the liquid density, structuring, and cohesive energy density, and underestimate the diffusion coefficient. T. G. A. Youngs and C. Hardacre (page 1548) show that scaling the charges serves to correct these quantities by mimicking, in some sense, polarisation and charge transfer between the ions that occurs in the liquid state.

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