Journal of Physical Chemistry A, Vol.107, No.44, 9329-9334, 2003
Infrared study of weakly bound hydrogen bonds in crystalline sodium sulfanilate dihydrate
We have studied the infrared spectra of the O-H(D) hydrogen bonds from the water and N-H(D) bonds from the NH2 group in the title compound as functions of deuterium concentration and temperature. Some of the vibrational stretching bands are re-assigned. The crystal contains two distinct water molecules. The two O-D bands from one HOD molecule merge together as the temperature is raised, suggesting homogenization of the environments of two O-D's due to increasing librational motion. The two O-D bands from the other HOD molecule behave as expected and do not merge over the temperature range. The two N-D bands of the HND group show the overlap or resonances between the N-D bands and combination bands. The shifts with temperature of the various stretching bands of the hydrogen-bonded atoms are in agreement with the changes expected from the changes in structure determined by previous X-ray analyses.