Statistics – Computation
Scientific paper
Sep 1987
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1987cajph..65.1159v&link_type=abstract
Canadian Journal of Physics (ISSN 0008-4204), vol. 65, Sept. 1987, p. 1159-1163. Research supported by the Etablissement Public
Statistics
Computation
3
Computational Astrophysics, Methyl Compounds, Microwave Spectra, Millimeter Waves, Sulfur Compounds, Computational Chemistry, Far Infrared Radiation, Ground State, Infrared Spectroscopy, Rotational Spectra
Scientific paper
The rotational spectrum of dimethylsulfide has been measured in the millimetre-wave range between 140 and 300 GHz. A new computer program based on the internal-axis method has been used to analyze the rotational spectrum in its torsional ground state. It has allowed us to fit the spectrum satisfactorily and to determine the rotational, internal-rotation, and centrifugal-distortion constants accurately. The influence of the approximations made during the internal-rotation analysis on the moment of inertia is pointed out. It shows the difficulty in determining accurate geometrical structures of two-top molecules from microwave data. For the AA substate, effective rotational parameters are given that allow the calculation of transition frequencies of possible astrophysical interest.
Demaison J.
Dubrulle A.
Vacherand J. M.
Wlodarczak Georges
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