Abstract
Density functional theory is used to obtain the electronic structure and normal vibrations of Fe–bis(trifluoromethanesulfonyl)imide (1:1) and 1-ethyl-3-methylimidazolium–Fe–bis(trifluoromethanesulfonyl)imide (1:1:1) ionic liquids. Different conformers were simulated on the basis of molecular interactions in 1:1 and 1:1:1 systems. Strength of molecular interactions in the ionic liquids was correlated with frequency shifts of characteristic vibrations relative to the corresponding vibration in free anion. The outcomes of the theoretical calculations were qualitatively compared with the experimental results.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.