INFRARED AND RAMAN-SPECTRA OF CRYSTALLIZATION WATER IN POTASSIUM N,N-DIMETHYLOXATHIOAMIDATE MONOHYDRATE

Raman and infrared measurements were performed on hydrated (H2O and D2 O) and anhydrous (CH3)(2)NCSCOOK together with their CD3-substituted a nalogues. Close scrutiny of the water fundamentals indicated that the C-2v symmetry of the single water molecule is lost owing to different strengths of hydrogen bonding with the carboxylate and thioamide funct ional groups. The number of water fundamentals and the wavenumber and intensity changes at different temperatures are, considering the very complex structure of the water spectra, unexpectedly consistent with t he predictions of a single asymmetric water molecule.