Molecular Orbital Calculations and Raman Measurements for 1-Ethyl-3-methylimidazolium Chloroaluminates

摘要: Raman spectroscopic data are presented for the room-temperature molten salts (AlCl{sub 3}){sub x}(1-ethyl-3-methylimidazolium chloride){sub 1-x}, x ranging from 0.46 to 0.67. Ab initio molecular orbital theory has been used compute structure and vibrational frequencies of some anionic cationic species present in these melts; results compared with semiempirical calculations interpret experiments.