Calculation of the singlet-triplet splitting of the dinegative ions of some aromatic molecules
- 1 January 1966
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 11 (2) , 101-104
- https://doi.org/10.1080/00268976600100911
Abstract
Calculations have been made on some dinegative ions of hydrocarbons having C3 symmetry axes, namely coronene, (18)-annulene, triphenylbenzene, decacyclene and triphenylene. When configuration interaction is allowed for only decacyclene and triphenylbenzene in a twisted configuration are calculated to have triplet ground states. These calculations agree with the available experimental data.Keywords
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- Paramagnetic Resonance Absorption in Naphthalene in Its Phosphorescent StateThe Journal of Chemical Physics, 1958
- A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.The Journal of Chemical Physics, 1953