The covalent and ionic states of the xenon halides
In: The Journal of Chemical Physics, Jg. 69 (1978), Heft 5, S. 2209-2220
Online
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Zugriff:
The electronic states and spectroscopic properties of the xenon halides, XeX (where X=F, C1, Br, I), are characterized on the basis of ab initio configuration interaction calculations. States dissociating to Xe(1S)+X(2P) and Xe+(2P)+X−(1S) are treated, and the effects of spin-orbit coupling are introduced in a semiempirical atoms-in-molecules model. The intense laser emissions in XeF (353 nm), XeC1 (308 nm), and XeBr (283 nm) and the strong fluorescence in XeI (253 nm) arise from a transition from the lowest Ω=1/2 state to the lowest covalent 1/2 state (III1/2→I1/2 in our notation). The calculated lifetimes for these transitions are all 11–12 nsec. Four other major emissions with ΔΩ=0 are predicted for each XeX species.
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The covalent and ionic states of the xenon halides
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Autor/in / Beteiligte Person: | Hay, P. Jeffrey ; Dunning, Thom. H. |
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Zeitschrift: | The Journal of Chemical Physics, Jg. 69 (1978), Heft 5, S. 2209-2220 |
Veröffentlichung: | AIP Publishing, 1978 |
Medientyp: | academicJournal |
ISSN: | 0021-9606 |
DOI: | 10.1063/1.436780 |
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