Article ID Journal Published Year Pages File Type
5412309 Journal of Molecular Liquids 2012 7 Pages PDF
Abstract
► We investigated interactions between [BMP]+[TFSI]- ion pairs using ab initio method. ► Infrared spectrum of [BMP]+[TFSI]- was assigned using DFT calculations. ► AIM method was employed to analyze the hydrogen bond interactions between [BMP]+[TFSI]- ion pairs. ► NBO analysis was carried out to show the importance of charge transfer interaction between [BMP]+[TFSI]- ion pairs.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Spectroscopic and computational analysis of the molecular interactions in the ionic liquid ion pair [BMP]+[TFSI]−
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