Spectroscopic and computational analysis of the molecular interactions in the ionic liquid ion pair [BMP] +[TFSI] -

Journal of Molecular Liquids

Volumn 175, Issue , 2012, Pages 141-147

  Mao, James X ^a   Nulwala, Hunaid B ^b   Luebke, David R ^b   Damodaran, Krishnan ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

Author keywords

BMP + TFSI ; Density functional theory; Infrared spectroscopy; Ionic liquids; NBO AIM

Indexed keywords

[BMP] +[TFSI] -; ATOMS-IN-MOLECULES; CHARGE TRANSFER INTERACTION; COMPUTATIONAL ANALYSIS; DISPERSION INTERACTION; ELECTRON DENSITY ANALYSIS; FREE IONS; FREQUENCY SHIFT; HARMONIC VIBRATION; INFRARED SPECTRUM; INTERACTION ENERGIES; ION PAIRS; MOLLER-PLESSET; NATURAL BOND ORBITAL ANALYSIS; NBO AIM; PYRROLIDINIUM; SECOND ORDERS;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; INFRARED SPECTROSCOPY; IONIC LIQUIDS;

CONFORMATIONS;

EID: 84867027966     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2012.09.001     Document Type: Article

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