Photoionization-efficiency spectrum and ionization energy of C2H5SCl

Citation
Bm. Cheng et al., Photoionization-efficiency spectrum and ionization energy of C2H5SCl, J CHEM PHYS, 111(22), 1999, pp. 10093-10098
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
22
Year of publication
1999
Pages
10093 - 10098
Database
ISI
SICI code
0021-9606(199912)111:22<10093:PSAIEO>2.0.ZU;2-D
Abstract
Photoionization-efficiency (PIE) spectra in the wavelength range of 108-143 nm are measured for C2H5SCl produced from reaction systems Cl/Cl-2/C2H5SH and Cl/Cl-2/C2H5SSC2H5 in a discharge-flow reactor coupled to a photoioniza tion mass spectrometer employing a synchrotron as the source of radiation. According to PIE spectra of C2H5SCl thus obtained, the ionization energy (I E) is (8.994 +/- 0.007) eV. Based on GAUSSIAN-2 calculations, the observed ionization of C2H5SCl near the threshold region is likely to form doublet C 2H5SCl+ from singlet C2H5SCl; the calculated IE 8.978 eV agrees well with t he experimental value. A vibrational frequency of doublet C2H5SCl+, was fou nd to be (557 +/- 60) cm(-1), which agrees satisfactorily with a theoretica l value of 560.9 cm(-1). (C) 1999 American Institute of Physics. [S0021-960 6(99)00646-7].