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