Vibrational structures of dimethyl sulfide and ethylene sulfide cations studied by vacuum-ultraviolet mass-analyzed threshold ionization (MATI) spectroscopy

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Adiabatic ionization energies of dimethyl sulfide (DMS) and ethylene sulfide (thiirane) are both accurately and precisely determined to be 8.6903 +/- 0.0009 and 9.0600 +/- 0.0009 eV, respectively, by vacuum-UV mass-analyzed threshold ionization (MATI) spectroscopy. Also reported are vibrational frequencies of DMS and thiirane monocations. Simulations using a Franck-Condon analysis based on ab initio molecular structures reproduce the experimental findings quite well. Detailed vibrational structures are discussed with the aid of ab initio calculations. Ionization-induced structural changes provide the information about the role of the sulfur nonbonding orbital in the geometrical layout of the title compounds.
Publisher
AMER CHEMICAL SOC
Issue Date
2006-12
Language
English
Article Type
Article
Keywords

PHOTOELECTRON-SPECTRA; SULFUR COMPOUNDS; ABSORPTION SPECTRA; MOLECULAR-SYSTEMS; TRANSITIONS; THIIRANE; ASSIGNMENT; PHOTODISSOCIATION; PHOTOIONIZATION; POTENTIALS

Citation

JOURNAL OF PHYSICAL CHEMISTRY A, v.110, no.49, pp.13183 - 13187

ISSN
1089-5639
DOI
10.1021/jp0651079
URI
http://hdl.handle.net/10203/10814
Appears in Collection
CH-Journal Papers(저널논문)
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