Infrared Spectroscopy of Li⁺Solvation in EmimBF₄and in Propylene Carbonate: Ab Initio Molecular Dynamics and Experiment

Keyphrases

• 1-Butyl-3-methylimidazolium Tetrafluoroborate 33%
• Ab Initio Molecular Dynamics 100%
• Ab Initio Molecular Dynamics Simulation 66%
• Autocorrelation 33%
• Computational Analysis 33%
• Generalized Normal Distribution 33%
• Induced Effect 33%
• Infrared Spectra 66%
• Infrared Spectroscopy 100%
• Ion-molecule 33%
• Ionic Liquid 33%
• Li + 100%
• Lithium Salts 66%
• Low Frequency Region 33%
• Molecular Motion 33%
• Molecular Species 33%
• Multiple Ions 33%
• Organic Solvents 33%
• Propylene Carbonate 100%
• Solvation 33%
• Spectral Changes 33%
• Structural Change 33%
• Translational Motion 33%
• Vibrational Dynamics 33%

Chemistry

• 1-Ethyl-3-Methylimidazolium 33%
• Ionic Liquid 33%
• Lithium Salt 66%
• Molecular Dynamics 100%
• Normal Modes 66%
• Propene 100%
• Solvation 100%
• Vibrational Frequency 33%