SO2 Solvation in the 1-Ethyl-3-Methylimidazolium Thiocyanate Ionic Liquid by Incorporation into the Extended Cation–Anion Network


We have carried out an ab initio molecular dynamics study on the sulfur dioxide (SO2) solvation in 1-ethyl-3-methylimidazolium thiocyanate for which we have observed that both cations and anions play an essential role in the solvation of SO2. Whereas, the anions tend to form a thiocyanate- and much less often an isothiocyanate-SO2 adduct, the cations create… (More)


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