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Raman Spectroscopic Study, DFT Calculations and MD Simulations on the Conformational Isomerism of N -Alkyl- N -methylpyrrolidinium Bis-(trifluoromethanesulfonyl) Amide Ionic Liquids

✍ Scribed by Umebayashi, Yasuhiro; Mitsugi, Takushi; Fujii, Kenta; Seki, Shiro; Chiba, Kazumi; Yamamoto, Hideo; Canongia Lopes, José N.; Pádua, Agílio A. H.; Takeuchi, Munetaka; Kanzaki, Ryo; Ishiguro, Shin-ichi


Book ID
126961050
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
922 KB
Volume
113
Category
Article
ISSN
0022-3654

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Conformational structure of the N-butyl-N-methyl-pyrrolidinium (P 14 + ) ion within its bis(trifluoromethanesulfonyl) imide (TFSI -) and bromide salts has been studied by means of DFT calculations and Raman spectroscopy. The P 14 + ion gives various types of conformations with respect to the pyrroli