A quantum chemical study on the linear C2S and C3S molecules

Details A quantum chemical study on the linear C2S and C3S molecules A quantum chemical study on the linear C2S and C3S molecules

Jul 1990

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1990apj...357..288m&link_type=abstract

Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 357, July 1, 1990, p. 288-290.

Astronomy and Astrophysics

Astrophysics

35

Carbon Compounds, Dipole Moments, Molecular Structure, Quantum Chemistry, Sulfides, Electron Orbitals, Free Radicals, Line Spectra, Microwave Spectra, Pi-Electrons

Scientific paper

The molecular structure of the linear C2S and C3S molecules were studied by a quantum chemical method. The calculated rotational constant is 6438 MHz for C2S and 2888 MHz for C3S. After vibrational correction, these values agree closely with experiment. The calculated dipole moments of C2S and C3S are 2.8 D and 3.6 D, respectively. The addition of a carbon atom stabilizes the short carbon-chain monosulfides about 100-160 kcal/mol.

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