Strongly bent excited states of ozone
- 1 April 1974
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 27 (4) , 831-836
- https://doi.org/10.1080/00268977400100741
Abstract
Geometries of six low-lying excited states of ozone are calculated by a limited SCF-CI procedure and are analysed in detail on the basis of the bonding properties of the molecular orbitals involved in the corresponding excitations. The triplet and singlet A 2 states are sharply bent with a valence angle of 99°. Differences between triplet and singlet states of same spatial symmetry are also accounted for with special emphasis on the B 2 states.Keywords
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