ISSN:
1042-7163
Keywords:
Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The vapor phase structure of (CH3O)2S [1] has been investigated by electron diffraction and ab initio MO calculations, which both result in a C2 symmetry for the most stable geometry, the Cs conformer being less stable by about 12 kJ/mol. The torsional barrier for rotation about one SO bond was calculated as 37 kJ/mol (trans barrier). The geometrical parameters (electron diffraction) of the C2 conformer are: dSO = 162.5(2), dCO = 142.6(3), dCH = 110.5(7) pm angles OSO = 103(1)°, SOC = 115.9(4)°, HCH = 109(1)°, torsional angle COSO = 84(3)°. Geometrical data calculated with 6-31G* basis set agree well with the diffraction data; calculated dipole moments 1.1 D (C2) and 3.3 D (Cs).The infrared spectrum of gaseous (CH3O)2S and the Raman spectra of liquid and solid (CH3O)2S are reported and have been almost fully assigned to the 27 fundamental vibrations.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/hc.520020605
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