Synthesis, structural characterization, thermal stability, vibrational spectra and density functional theoretical studies of 1,3-bis(carboxymethyl)imidazolium nitrate ionic liquid

Abstract In this paper, 1,3-bis(carboxymethyl)imidazolium nitrate was prepared, and its structure was also determined by a single-crystal X-ray diffraction. Its FT-infrared and Raman spectra were measured and reported. The crystal structure and the type of O H…O hydrogen bonds were analyzed on the basis of the vibrational spectroscopy and Density Functional Theory (DFT) calculation. Additionally, thermal stability of 1,3-bis(carboxymethyl)imidazolium nitrate and its decomposition process were discussed.