Photodissociation of S2 (X3Σg–, a1Δg, and b1Σg+) in the 320–205 nm Region
| Autor: | Zahid Farooq, Patrick J.J. Martin, Colin M. Western, David H. Parker, Zhong-Fa Sun |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
010304 chemical physics
Chemistry Photodissociation Ab initio 010402 general chemistry 7. Clean energy 01 natural sciences Quantum chemistry Molecular physics Potential energy Spectral line Article 0104 chemical sciences Photoexcitation TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITY Excited state 0103 physical sciences Molecule Physical and Theoretical Chemistry |
| Zdroj: | The Journal of Physical Chemistry. a Sun, Z F, Farooq, Z, Parker, D H, Martin, P J J & Western, C M 2019, ' Photodissociation of S 2 (X 3 ς g-, a 1 Δ g, and b 1 ς g + ) in the 320-205 nm Region ', Journal of Physical Chemistry A, vol. 123, no. 32, pp. 6886-6896 . https://doi.org/10.1021/acs.jpca.9b05350 |
| ISSN: | 1520-5215 1089-5639 |
| DOI: | 10.1021/acs.jpca.9b05350 |
| Popis: | Photodissociation of vibrationally and electronically excited sulfur dimer molecules (S2) has been studied in a combined experimental and computational quantum chemistry study in order to characterize bound-continuum transitions. Ab initio quantum chemistry calculations are carried out to predict the potential energy curves, spin-orbit coupling, transition moments, and bound-continuum spectra of S2 for comparison with the experimental data. The experiment uses velocity map imaging to measure S-atom production following S2 photoexcitation in the ultraviolet region (320-205 nm). A pulsed electric discharge in H2S produces ground-state S2 X3ςg -(v = 0-15) as well as electronically excited singlet sulfur and b1ςg +(v = 0, 1), and evidence is presented for the production and photodissociation of S2 a1Δg. In a previous paper, we reported threshold photodissociation of S2X3ςg -(v = 0) in the 282-266 nm region. In the present study, S(3PJ) fine structure branching and angular distributions for photodissociation of S2 (X3ςg -(v = 0), a1Δg and b1ςg +) via the B″3IIu, B3ςu - and 11IIu excited states are reported. In addition, photodissociation of the X3ςg -(v = 0) state of S2 to the second dissociation limit producing S(3P2) + S(1D) is characterized. The present results on S2 photodynamics are compared to those of the well-studied electronically isovalent O2 molecule. |
| Databáze: | OpenAIRE |
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