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Structure of molten 1,3-dimethylimidazolium chloride using neutron diffraction
Abstract
The model room temperature ionic liquid, 1,3-dimethylimidazolium chloride, has been studied by neutron diffraction for the first time. The diffraction data are used to derive a structural model of this liquid using Empirical Potential Structure Refinement. The model obtained indicates that significant charge ordering is present in the liquid salt and that the local order in this liquid closely resembles that found in the solid state. As in the crystal structure, hydrogen-bonding interactions between the ring hydrogens and the chloride dominate the structure. The model is compared with the data reported previously for both simple alkyl substituted imidazolium halides and binary mixtures with AlCl3.
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Citations
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Pârvulescu, V. I., & Hardacre, C. (2007) · Chemical Reviews · doi:10.1021/cr050948h · Cited by 2,377
Self-citationUnderstanding Ionic Liquids at the Molecular Level: Facts, Problems, and Controversies
Weingärtner, H. (2008) · Angewandte Chemie International Edition · doi:10.1002/anie.200604951 · Cited by 1,543
Binnemans, K. (2005) · Chemical Reviews · doi:10.1021/cr0400919 · Cited by 1,163
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Dong, K., Liu, X., Dong, H., Zhang, X., & Zhang, S. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00776 · Cited by 773
Metadata
- Authors
- Hardacre, C., Holbrey, J. D., McMath, S. E. J., Bowron, D. T., & Soper, A. K.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2003-01-01
- Volume
- 118
- Issue
- 1
- Pages
- 273-278
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2004359286
- Cited by
- 504
- References
- 0
- FWCI
- 8.75
- Type
- journal article
- Language
- en
- Open access
- closed
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- Hardacre, C., Holbrey, J. D., McMath, S. E. J., Bowron, D. T., & Soper, A. K. (2003). Structure of molten 1,3-dimethylimidazolium chloride using neutron diffraction. The Journal of Chemical Physics. https://doi.org/10.1063/1.1523917
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