Using MCSF and CIPSI3 methods the shape of the potential energy surface (PES ) for the title reaction has been computed for the 'A' and 'A" states, locating the stationary points on each surface. The results from these two methods show that the wavefunction for all the stationary points has a strong
SO(X 3Σ−) product energy disposal in the desulfurization reaction of thiirane with O(3P) atoms
✍ Scribed by K. Ravichandran; Yuchuan Gong; Fei Wu; Brad R. Weiner
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 493 KB
- Volume
- 252
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The SO(X 3~-) product energy disposal in the desulfurization reaction of thiirane (C2H45) with O(3p) atom has been studied by probing its rovibrational state distributions via laser-induced fluorescence spectroscopy on the B 3E--X 3Etransition. The O(3p) atom was produced by 351 nm photolysis of NO 2. The nascent SO(X 3E-) product vibrational state distribution was found to be inverted with a maximum at v" = 1 and measurable population was detected up to v" = 8. The rotational state distributions of SO(X 3E-, v" = 1-5) produced within two gas kinetic collisions can be characterized by an average rotational temperature, T R = 1163 ___ 311 K. The observed SO(X 3E-) internal energy accounts for 16% of the total energy available to the products. No evidence for the production of other species, e.g. OH, was observed. The non-statistical energy distribution in SO(X 3E-) is consistent with an abstraction mechanism for the title reaction.
📜 SIMILAR VOLUMES
The reaction C( 'P) +NsO(% \*C+) is studied by varying the kinetic energy of C(3P) in two center-of-mass regimes: 0.1-0.2 eV and 2-7 eV. C( 3P) is directly observed, and the C, velocity distribution is estimated from the time-of-flight of Cs. CN(X %+) is vibrationally inverted and rotationally 'hot'
The reaction of Cr( CO)s with 0 ("P) atoms was studied in an isothermal discharge-flow reactor with He and Ar as a main carrier gas. 0 atoms were produced by discharging Os/He mixtures. The species in the flow system were detected with a quadrupole mass spectrometer via a molecular-beam system. The