Synthesis, thermal properties, vibrational spectra and computational studies of Trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid

In this work, Aliquat 336 ([Aliquat+]) based ionic liquids containing the fluorinated anion bis(trifluoromethylsulfonyl)imide [NTf2−] was successfully prepared by anionic exchange replacement of chloride anion. The reaction lithium with N-Methyl-N,N,N-trioctylammonium ([N1,8,8,8][Cl] in water lead to corresponding IL, namely ([Aliquat+][NTf2−]). obtained liquid characterized using infrared and Raman spectra its structure confirmed 1H NMR, 13C 19F-NMR. thermal properties were investigated two complementary analysis techniques: TGA DTA. A hexadentate coordination mode between cation-anion predicted atoms molecules (AIM) studies for [Aliquat+][NTf2−] IL B3LYP/6–31G* calculations where three O Cis conformation are linked six H cation S-O•••H interactions. Changes bond orders S supported such observations. distances range 2.30–2.60 Å. harmonic force fields calculated complete assignments performed both species while most important bands observed assigned. addition, scaled constants also reported.