The polarized Raman spectra of N-methylpyrrolidone-an effective method for determination of intermolecular interaction and H-bond formation.

The isotropic and anisotropic component Raman spectra and H NMR of N-methylpyrrolidone (NMP)/carbon tetrachloride and NMP/methanol binary mixture at different volume fractions have been collected. The polarization Raman frequencies and frequency differences of CO stretching vibration for NMP/methanol mixture show unique concentration-dependence and abrupt jump feature. It is found that the H-bond between solute and solvent does not destroy the noncoincidence (NCE) phenomenon, but has a significant synergistic effect on the NCE. Two distinctive clusters constrained by H-bond and intermolecular interactions were easily determined by means of linear extension method from abrupt jump curve. The experimental phenomena can be well explained by aggregation-induced splitting theory with the proposed dimer structure and H-bond cluster model. Applying the same methodology the conformation of NMP in water has been determined successfully. The establishment of this method will play an important role in the determination of biomolecule aggregation behavior and supramolecular self-assembly structure.