ISSN:
0377-0486
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
Raman spectra of single crystals of NH3SO3 were recorded for the B1g and B3g polarization in the range 10-500 cm-1 for the temperature range 10-360 K and for zz, zy and zχ polarizations in the range 2500-3300 cm-1 at 77 and 300 K. Neutron diffraction data on the polycrystalline sample at 4 and 77 K were obtained in order to study the structural variation with temperature. Potential energy calculations made using atom-atom potentials show that torsional mode broadening is not caused by hot-band transitions. The ful width at half maximum intensity of the torsional mode was accounted for in terms of the reorientational motion of the NH3 rotor and the pure vibrational dephasing (PVD). At 300 K the reorientational motion contributes about 2 cm-1. The PVD broadening was calculated on the basis of cubic coupling between the torsional and hydrogen bond stretching modes following a semi-classical model. Its contribution at 300 K was estimated to be 25 cm-1.
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jrs.1250190804
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