Abstract

The infrared spectra of CH 3SH and CH 3SD have been investigated in the gas, liquid and solid state with the purpose of resolving some inconsistencies in the fundamental frequency assignment of CH 3SH. A study of the Raman spectra of liquid CH 3SH and CH 3SD to complement the infrared results was also carried out. A modified valence force field which included the diagonal symmetrized force constants plus a single added repulsive interaction constant coupling the methyl wagging with the SH bending vibrations was used in a normal coordinate treatment. Excellent agreement between the observed and calculated frequencies was obtained.

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