Quantum chemical investigation of the structures of ionic liquids based on 1-ethyl-3-methylimidazolium halides: IR spectra and hydrogen bonds

Molecular Structure, Vibrational Spectra

Molecular Structure, Vibrational Spectra, and Hydrogen Bonding of the Ionic Liquid 1-Ethyl-3-methyl-1H-imidazolium Tetrafluoroborate

✍ Sergey A. Katsyuba; Paul J. Dyson; Elena E. Vandyukova; Alla V. Chernova; Ana Vi 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 German ⚖ 176 KB

## Abstract The IR and __Raman__ spectra and conformations of the ionic liquid 1‐ethyl‐3‐methyl‐1__H__‐imidazolium tetrafluoroborate, [EMIM] [BF~4~] (**6**), were analyzed within the framework of scaled quantum mechanics (SQM). It was shown that SQM successfully reproduced the spectra of the ionic