On the components of the dielectric constants of ionic liquids : ionic polarization?

Izgorodina, Ekaterina I., Forsyth, Maria and MacFarlane, Douglas R. 2009, On the components of the dielectric constants of ionic liquids : ionic polarization?, Physical chemistry chemical physics, vol. 11, no. 14, pp. 2452-2458.

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Title On the components of the dielectric constants of ionic liquids : ionic polarization?
Author(s) Izgorodina, Ekaterina I.
Forsyth, Maria
MacFarlane, Douglas R.
Journal name Physical chemistry chemical physics
Volume number 11
Issue number 14
Start page 2452
End page 2458
Total pages 7
Publisher Royal Society of Chemistry
Place of publication Cambridge, England
Publication date 2009
ISSN 1463-9076
1463-9084
Summary According to dielectric spectroscopy measurements, ionic liquids (ILs) have rather modest dielectric constants that reflect contributions from distortion and electronic polarization caused by the molecular polarizability as well as the orientation polarization caused by the permanent dipole moment of the ions. To understand the relative importance of these various contributions, the electronic polarizabilities of 27 routinely used ionic liquid ions of different symmetry and size were calculated using ab initio-based methods such as HF and MP2. Using the Clausius–Mossotti equation, these polarizabilities were then used to obtain the electronic polarization contribution (εop) to the dielectric constants of six ionic liquids, [C2mim][BF4], [C2mpyr][N(CN)2], [C2mim][CF3SO3], [EtNH3][NO3], [C2mim][NTf2] and [C2mim][EtSO4]. Theoretical εop values were compared to experimental refractive indices of these ionic liquids as well as to those of traditional molecular solvents such as water, tetrahydrofuran (THF), dimethylsulfoxide (DMSO) and formamide. The dipole moments of the ions were also calculated, and from these it is shown that the molecular reorientation component of the dielectric constants of the ionic liquids consisting of ions with small or negligible dipole moments is quite small. Thus it is concluded that a contribution from a form of “ionic polarization” must be present.
Language eng
Field of Research 039999 Chemical Sciences not elsewhere classified
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2009, Owner Societies
Persistent URL http://hdl.handle.net/10536/DRO/DU:30030173

Document type: Journal Article
Collection: Institute for Technology Research and Innovation
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