| Autor: |
Liu, H., Lim, E. C., Muñoz-Caro, C., Niño, A., Judge, R. H., Moule, D. C. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 8/15/1996, Vol. 105 Issue 7, p2547, 6p |
| Abstrakt: |
The laser induced T[SUB1](nπ*)←S[SUB0] phosphorescence excitation spectrum of jet-cooled acetaldehyde has been observed for the first time with a rotating slit nozzle excitation system. The vibronic origins were fitted to a set of levels that were obtained from a Hamiltonian that employed flexible torsion-wagging large amplitude coordinates. The potential surface extracted from the fitting procedure yielded barriers to torsion and inversion of 609.68 and 869.02 cm[SUP-1], respectively. Minima in the potential hypersurface at θ=61.7° and α=42.2° defined the equilibrium positions for the torsion and wagging coordinates. A comparison to the corresponding S[SUB1]-state parameters showed that the torsion barrier (in cm[SUP-1]) does not greatly change, S[SUB1]/T[SUB1] = 710.8/609.7, whereas the barrier height for the wagging-inversion barrier increases dramatically, 574.4/869.0. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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