DFT Study on Conformation of 1-Alkyl-3-methylimidazolium with Ethyl, Propyl, Butyl, Pentyl, and Hexyl Group
Author:
Affiliation:
1. Department of Molecular Chemistry and Biochemistry, Faculty of Science and Engineering, Doshisha University, 1-3 Tatara Miyakodani, Kyotanabe, Kyoto 610-0394, Japan
Publisher
The Chemical Society of Japan
Subject
General Chemistry
Link
http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.20200022
Reference36 articles.
1. M. K. Douglas, R. MacFarlane, J. M. Pringle, Fundamentals of Ionic Liquids: From Chemistry to Applications. Editor, Wiley-VCH, 2017.
2. Crystal Polymorphism of 1-Butyl-3-methylimidazolium Hexafluorophosphate: Phase Diagram, Structure, and Dynamics
3. Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquids
4. How Is Diffusion of Neutral and Charged Tracers Related to the Structure and Dynamics of a Room-Temperature Ionic Liquid? Large Deviations from Stokes–Einstein Behavior Explained
5. Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids
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1. Hydrogen bonding of nanoconfined water and lyotropic ionic liquid crystal in 1-decyl-3-methylimidazolium nitrate–water solutions;Chemical Physics;2024-08
2. Low-temperature and high-pressure phase transitions of ionic liquid 1-decyl-3-methylimidazolium bromide;Journal of Molecular Liquids;2024-05
3. High-pressure-driven multiple-glass transitions of ionic liquids: 1-alkyl-3-methylimidazolium nitrate;Journal of Molecular Liquids;2024-05
4. Role of conformational entropy in low melting point of ionic liquids: a molecular dynamics simulation study;Bulletin of the Chemical Society of Japan;2023-12-01
5. High-pressure conformational and crystal polymorphs in 1-hexyl-3-methylimidazolium perfluorobutanesulfonate ionic liquid;Vibrational Spectroscopy;2023-09
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