Literature DB >> 17464386

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

S Yu Grebenshchikov1, Z-W Qu, H Zhu, R Schinke.   

Abstract

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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Year:  2007        PMID: 17464386     DOI: 10.1039/b701020f

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  5 in total

1.  Clinical and microbiological effects of ozone nano-bubble water irrigation as an adjunct to mechanical subgingival debridement in periodontitis patients in a randomized controlled trial.

Authors:  Sae Hayakumo; Shinichi Arakawa; Yoshihiro Mano; Yuichi Izumi
Journal:  Clin Oral Investig       Date:  2012-03-17       Impact factor: 3.573

2.  Origin of the "odd" behavior in the ultraviolet photochemistry of ozone.

Authors:  Shanyu Han; Carolyn E Gunthardt; Richard Dawes; Daiqian Xie; Simon W North; Hua Guo
Journal:  Proc Natl Acad Sci U S A       Date:  2020-08-12       Impact factor: 11.205

Review 3.  High Resolution Infrared Spectroscopy in Support of Ozone Atmospheric Monitoring and Validation of the Potential Energy Function.

Authors:  Alain Barbe; Semen Mikhailenko; Evgeniya Starikova; Vladimir Tyuterev
Journal:  Molecules       Date:  2022-01-28       Impact factor: 4.411

4.  Spectroscopic signatures of ozone at the air-water interface and photochemistry implications.

Authors:  Josep M Anglada; Marilia Martins-Costa; Manuel F Ruiz-López; Joseph S Francisco
Journal:  Proc Natl Acad Sci U S A       Date:  2014-07-28       Impact factor: 11.205

5.  Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectra.

Authors:  Piero Decleva; Nicola Quadri; Aurelie Perveaux; David Lauvergnat; Fabien Gatti; Benjamin Lasorne; Gábor J Halász; Ágnes Vibók
Journal:  Sci Rep       Date:  2016-11-07       Impact factor: 4.379

  5 in total

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