Journal article
Does chlorine peroxide absorb below 250 nm?
The Journal of chemical physics, Vol.121(6), pp.2611-2616
08/08/2004
Handle:
https://hdl.handle.net/2376/114121
PMID: 15281859
Abstract
Low-lying singlet and triplet electronic excited states of ClOOCl are presented. Calculations of the excitation energies and oscillator strengths are reported using excited state coupled cluster response methods, as well as the complete active space self-consistent field method with the full Breit-Pauli spin-orbit operator. These calculations predict that for ClOOCl there should be a weakly absorbing triplet state lying below the lowest absorbing singlet excited state. This state is predicted to have an absorption maximum at about 385 +/- 25 nm. This lowest triplet state is calculated to be dissociative and leads to ClOO+Cl.
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Details
- Title
- Does chlorine peroxide absorb below 250 nm?
- Creators
- Kirk A Peterson - Department of Chemistry, Washington State University, Pullman, Washington 99164-4630, USAJoseph S Francisco
- Publication Details
- The Journal of chemical physics, Vol.121(6), pp.2611-2616
- Academic Unit
- Chemistry, Department of
- Publisher
- United States
- Identifiers
- 99900548389101842
- Language
- English
- Resource Type
- Journal article