Theoretical study of the visible and ultraviolet spectra of chromyl chloride (CrO2Cl2)
- 1 August 1993
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 99 (3) , 1945-1951
- https://doi.org/10.1063/1.465308
Abstract
The excitation spectrum of chromyl chloride (CrO2Cl2) is studied theoretically by the symmetry adapted cluster‐configuration interaction (SAC‐CI) method. The calculated spectrum agrees well with the observed spectrum. In this report, we describe the assignments of the visible and ultraviolet spectra up to 8.0 eV and discuss the nature of the excitations.Keywords
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