Theoretical study on interactions between Trifluoromethanesulfonate (Triflate) based ionic liquid and thiophene
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DOI: 10.1016/j.molliq.2017.04.105
Abstract: Density functional theory was employed to investigate the interactions between 1-ethyl-3-methylimidazolium ([EMIM]+)/1-ethylpyridinium ([EPY]+)/1-ethyl-1-methylpyrrolidinium ([EPYRO]+)/1-ethyl-1-methylpiperidinium ([EPIP]+) cations and trifluoromethanesulfonate ([OTf]−) anion, as well as the interactions between trifluoromethanesulfonate ([EMIM]+[OTf]−)/1-ethylpyridinium trifluoromethanesulfonate ([EPY]+[OTf]−)/1-ethyl-1-methylpyrrolidinium trifluoromethanesulfonate ([EPYRO]+[OTf]−)/1-ethyl-1-methylpiperidinium trifluoromethanesulfonate ([EPIP]+[OTf]−) and… read more here.
Keywords: ethyl; otf; epyro; thiophene ... See more keywords