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  New theoretical investigations of the photodissociation of ozone in the Hartley, Huggins, Chappuis, and Wulf bands

Grebenshchikov, S. Y., Qu, Z.-W., Zhu, H., & Schinke, R. (2007). New theoretical investigations of the photodissociation of ozone in the Hartley, Huggins, Chappuis, and Wulf bands. Physical Chemistry Chemical Physics, 9, 2044-2064. doi:10.1039/b701020f.

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 Urheber:
Grebenshchikov, Sergej Yuri1, Autor
Qu, Zheng-Wang2, Autor           
Zhu, Hui, Autor
Schinke, Reinhard2, Autor           
Affiliations:
1Max Planck Society, ou_persistent13              
2Max Planck Institute for Dynamics and Self-Organization, Max Planck Society, ou_2063285              

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 Zusammenfassung: We review recent theoretical studies of the photodissociation of ozone in the wavelength region from 200 nm to 1100 nm comprising four major absorption bands: Hartley and Huggins (near ultraviolet), Chappuis (visible), and Wulf (near infrared). The quantum mechanical dynamics calculations use global potential energy surfaces obtained from new high-level electronic structure calculations. Altogether nine electronic states are taken into account in the theoretical descriptions: four 1A', two 1A'', one 3A' and two 3A'' states. Of particular interest is the analysis of diffuse vibrational structures, which are prominent in all absorption bands, and their dynamical origin and assignment. Another focus is the effect of non-adiabatic coupling on lifetimes in the excited states and on the population of the specific electronic product channels.

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Sprache(n): eng - English
 Datum: 2007-03-15
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: eDoc: 350942
DOI: 10.1039/b701020f
 Art des Abschluß: -

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Titel: Physical Chemistry Chemical Physics
  Alternativer Titel : Phys. Chem. Chem. Phys.
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: -
Seiten: - Band / Heft: 9 Artikelnummer: - Start- / Endseite: 2044 - 2064 Identifikator: -