H-bonds of imidazole crystals. II. Determination of the magnitudes of the various anharmonic couplings of vs modes

In this article results given in a previous paper (part I), concerning the spectra of NH and ND species recorded with a polarization parallel to the c axis are analyzed, the necessary corrections on the raw data performed, v_s bands and their first moments are then compared with corresponding quantities predicted from a simple theory which describes quantitatively the anharmonic interactions of a single H-bond with a low frequency vibration of the same H-bond and with binary combinations of modes (Fermi resonances). This allows us to determine the magnitudes of the various anharmonic interactions involved. It appears that the low frequency vibration which modulates v_s is a bending mode of the H-bond (NH ↑ … N), a finding somewhat unexpected, as this low frequency vibration is usually thought to be the stretching vibration v_σ of the H-bond