CNDO Molecular-Orbital Theory of Molecular Spectra. III. Calculations for the Fluorosulfate Radical
- 15 May 1969
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 50 (10) , 4565-4571
- https://doi.org/10.1063/1.1670932
Abstract
Calculations are presented for the four lowest doublet states of the fluorosulfate (SO3F) radical. The symmetries of these states were found to be, in order of increasing energy, , and . These results are consistent with the energies and intensities of the observed spectral absorption systems, especially the transition at 2.403 eV (5160 Å).
Keywords
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