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Structure and Dynamics of N -Methyl- N -propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide Ionic Liquid from Molecular Dynamics Simulations

โœ Scribed by Borodin, Oleg; Smith, Grant D.


Book ID
119961155
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
457 KB
Volume
110
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