The rotational spectra of HOCO(+), HOCS(+), HSCO(+), and HSCS(+)

Details The rotational spectra of HOCO(+), HOCS(+), HSCO(+), and HSCS(+) The rotational spectra of HOCO(+), HOCS(+), HSCO(+), and HSCS(+)

Jun 1985

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1985apj...293l..49t&link_type=abstract

Astrophysical Journal, Part 2 - Letters to the Editor (ISSN 0004-637X), vol. 293, June 1, 1985, p. L49-L51.

Astronomy and Astrophysics

Astrophysics

15

Interstellar Matter, Molecular Clouds, Molecular Spectra, Positive Ions, Rotational Spectra, Carbon Compounds, Hydrogen Compounds, Molecular Orbitals, Oxygen Compounds, Sulfur Compounds

Scientific paper

Ab initio molecular electronic structure calculations have been used to predict the equilibrium geometries of protonated CO2, COS, and CS2. By correcting for the known inadequacies in calculations of bond lengths and angles, rotational frequencies of considerably higher accuracy than those from the raw ab initio results have been obtained. These frequencies should assist in attempts to identify these species in the laboratory and in tentative assignments of interstellar lines.

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