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Infrared and Raman spectra of crystallization water in potassium N, N ‐dimethyloxathioamidate monohydrate
Author(s) -
Desseyn H. O.,
Hereygers M. L. B. F.,
Perlepes S. P.
Publication year - 1995
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250260112
Subject(s) - raman spectroscopy , anhydrous , hydrogen bond , chemistry , molecule , water of crystallization , carboxylate , thioamide , infrared , infrared spectroscopy , crystallography , crystallization , hydrate , analytical chemistry (journal) , inorganic chemistry , stereochemistry , organic chemistry , physics , optics
Raman and infrared measurements were performed on hydrated (H 2 O and D 2 O) and anhydrous (CH 3 ) 2 NCSCOOK together with their CD 3 ‐substituted analogues. Close scrutiny of the water fundamentals indicated that the C 2 v symmetry of the single water molecule is lost owing to different strengths of hydrogen bonding with the carboxylate and thioamide functional 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 the predictions of a single asymmetric water molecule.