Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 8, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4818540
Keywords
-
Funding
- Deutsche Forschungsgemeinschaft (DFG) [KI-768/5-3, KI-768/6-1]
- Fonds der Chemischen Industrie (FCI)
- Alexander von Humboldt-Stiftung
Ask authors/readers for more resources
We present a comprehensive molecular dynamics simulation study on 1-butyl-3-methylimidazolium ionic liquids and their fluorinated analogs. The work focused on the effect of fluorination at varying anions. The main findings are that the fluorination of the cations side chain increases overall structuring, especially the aggregation of cation side chain. Furthermore, large and weakly coordinating anions tend to occupy on-top positions of the cation and decrease the aggregation of cation side chains, most likely due to enhanced alkyl-anion interaction. (C) 2013 AIP Publishing LLC.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available