Vibrational structures of dimethyl sulfide and ethylene sulfide cations studied by vacuum-ultraviolet mass-analyzed threshold ionization (MATI) spectroscopy.
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.
Choi
Sunyoung
S
Department of Chemistry and School of Molecular Sciences (BK21), Korea Advanced Institute of Science and Technology (KAIST), Daejeon (301-750), Republic of Korea.
Choi
Kyo-Won
KW
Kim
Sang Kyu
SK
Chung
Sangyoon
S
Lee
Sungyul
S