Journal article
Temperature-dependent structure of ionic liquids: X-ray scattering and simulations
Faraday Discussions, Vol.154, pp.133-143
11/29/2011
DOI: 10.1039/c1fd00059d
Abstract
In this article we determine the temperature-dependent structure of the tetradecyltrihexylphosphonium bis(trifluoromethylsulfonyl)amide ionic liquid using a combination of X-ray scattering and molecular dynamics simulations. As in many other room-temperature ionic liquids three characteristic intermolecular peaks can be detected in the structure function S ( q ). A prepeak or first sharp diffraction peak is observed at about q = 0.42 Å −1 . Long range anion-anion correlations are the most important contributors to this peak. In all systems we have studied to date, this prepeak is a signature of solvation asymmetry. The peak in S ( q ) near q = 0.75 Å −1 is the signature of ionic alternation and arises from the charge ordered separation of ions of the same charge. The most intense diffraction peak near q = 1.37 Å −1 arises from short-range separation between ions of opposite charge combined with a significant contribution from cationic carbon-carbon interactions, indicating that cationic hydrophobic tails have significant contacts.
Details
- Title: Subtitle
- Temperature-dependent structure of ionic liquids: X-ray scattering and simulations
- Creators
- Hemant K KashyapCherry S SantosHarsha V. R AnnapureddyN. Sanjeeva MurthyClaudio J MargulisEdward W Castner Jr
- Resource Type
- Journal article
- Publication Details
- Faraday Discussions, Vol.154, pp.133-143
- DOI
- 10.1039/c1fd00059d
- ISSN
- 1359-6640
- eISSN
- 1364-5498
- Number of pages
- 11
- Language
- English
- Date published
- 11/29/2011
- Academic Unit
- Chemistry
- Record Identifier
- 9983985868002771
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