DFT calculations o f IR and NMR properties of ۴-(dim ethyl ami no)-۱-(trimethylsil yl) pyridin -۱-ium ch loride

Ionic liquids are salts of org anic cations with melting points gen erally belo w ۱۰۰ °C [۱]. ILs are s alts compos ed organic-based cationic parts and organic-bas ed or inorganic-based an ionic parts. Typical IL’s have alkyl groups attached to cationic parts. P hysicochem ical properties of ILs are depende nt to the l ength of alkyl group and anion position [۲]. To ratio nalize interrelations between structure and properties of ILs, reliable data on t he structur e and bonding in ionic liquids are needed. B ecause X-ray structural elucidation of liquids is not routi nely feasible , it is necessary to rely on spectroscopic metho ds. In this work used I R and NMR spectroscopy to the st udy of structures of ILs. We have in vestigated that conform ation chan ges by DFT methods in combination with IR an d NMR spec troscopy m ethod

کلیدواژه ها:

Ionic liquid ، NM R ، IR ، DFT