Portal de Periódicos da CAPES

Vacuum ultraviolet single-photon and ultraviolet nonresonant two-photon pulsed field ionization photoelectron study of CH3SCH3

1999; Elsevier BV; Volume: 185-187; Linguagem: Inglês

10.1016/s1387-3806(98)14124-6

1873-2798

Yue S. Cheung, C.Y. Ngab,

Atmospheric Ozone and Climate

The vacuum ultraviolet (VUV) single-photon and ultraviolet nonresonant two-photon (N2P) pulsed field ionization photoelectron (PFI-PE) spectra for CH3SCH3 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 CH3SCH3 and CH3SCH3+, 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 CH3SCH3.