Molecular x-ray spectra: S-Kβ emission and K absorption spectra of SCO and CS2

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Abstract
The sulfur Kβ emission in fluorescence and K absorption of SCO and CS2 in gas/vapor phase were measured with a double crystal spectrometer. The sulfur Kβ emission spectra were compared with the complimentary x‐ray spectral data and with the MNDO and a b i n i t i o (STO‐3G) MO calculations and with previous larger basis set a b i n i t i o calculations. A comparison with the x‐ray spectra from CO2 was included for completeness. In addition the S‐1s binding energy was estimated for SCO and CS2 as 2478.7 and 2478.1 eV, respectively. Using the MO calculations as a guide, a tentative asssignment of the prominent features in the absorption spectra was made and compared with the S‐L 2,3 absorption and energy lossspectra.