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Rotational isomers of ethyl dithioacetate and ethyl thionoacetate: A Raman study
Author(s) -
Verma A. L.,
Ozaki Y.,
Storer A. C.,
Carey P. R.
Publication year - 1981
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.1250110518
Subject(s) - conformational isomerism , raman spectroscopy , enthalpy , chemistry , phase (matter) , liquid phase , crystallography , spectral line , analytical chemistry (journal) , stereochemistry , organic chemistry , molecule , thermodynamics , physics , optics , astronomy
Raman spectra of ethyl dithioacetate (CH 3 CS 2 C 2 H 5 ) and ethyl thionoacetate (CH 3 C(S)OC 2 H 5 ) have been measured as a function of temperature in the liquid phase and in the solid phase at low temperature. For both compounds disappearance of several bands from the liquid spectrum on solidification established the presence of more than one conformer in the liquid phase. Temperature variation studies on band pairs whose components belong to different isomers gave enthalpy differences of 598±48 cal mol −1 and 1072±65 cal mol −1 between the conformers of CH 3 CS 2 C 2 H 5 and CH 3 C(S)OC 2 H 5 respectively. The most probable low‐energy conformer, in both instances, is the s‐cis form with all the heavy atoms contained in a single plane.