Abstract
The vacuum ultraviolet (VUV) single-photon and ultraviolet nonresonant two-photon (N2P) pulsed field ionization photoelectron (PFI-PE) spectra for CH 3SCH 3 have been obtained in the energy range of 69 500–72 500 cm −1. Vibrational structures observed in the VUV-PFI-PE and N2P-PFI-PE spectra are similar. Guided by the ab initio theoretical harmonic frequencies, we have assigned the vibrational bands resolved in these spectra. Using a semiempirical simulation scheme, together with ab initio theoretical rotational constants for CH 3SCH 3 and CH 3SCH 3 +, we have also obtained a good fit to the contours of rotational branches resolved in the origin band of the VUV-PFI-PE spectrum. Taking into account the uncertainty of the simulation model used, we obtain a value of 70 097.3 ± 2.0 cm −1 (8.69096 ± 0.00016 eV) for the adiabatic ionization energy of CH 3SCH 3.
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