Does chlorine peroxide absorb below 250 nm?
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 121, Issue: 6, Page: 2611-2616
2004
- 28Citations
- 10Captures
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Article Description
The photochemical properties of low-lying singlet and triplet electronic excited states of chlorine peroxide (ClOOCl), were analyzed. The excitation energies and oscillator strengths were obtained using excited state coupled cluster response methods and complete active space self-consistent field method with full Rett-Pauli spin-orbit operator. It was found that there should be a weakly absorbing spin-orbit operator for ClOOCl. The results show that low-lying triplets might account for long wavelength tail in absorption spectrum of ClOOCl.
Bibliographic Details
AIP Publishing
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