In this study, we present density functional calculation of the
geometrical and vibrational properties of the ground state of
water-soluble poly(NVIM) and its dimeric forms. The theoretical
data (molecular parameters, FTIR and Raman spectra) are compared
to the results of the experimental studies performed in the
solid state. Natural bond orbitals (NBO) charges were performed
at the same level of theory. Most stable dimeric forms were analyzed
according to their hydrogen bonding energy and geometric
characterization. Besides, 1H NMR and 13C NMR spectra of poly
(NVIM) have been recorded and discussed. Thermal properties of
poly(NVIM) were investigated by using TGA, DTA and DSC.