The Photoelectron Spectrum of Sulphur Trioxide: Jahn-Teller Distortion in SOFormula
β Scribed by Mines, G. W.; Thomas, R. K.
- Book ID
- 120151904
- Publisher
- The Royal Society
- Year
- 1974
- Tongue
- English
- Weight
- 561 KB
- Volume
- 336
- Category
- Article
- ISSN
- 0962-8444
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π SIMILAR VOLUMES
We present a theoretical account of the Jahn-Teller (JT) and pseudo-Jahn-Teller (PJT) effects in the photoelectron spectrum of cyclopropane. The PJT interactions between the two JT split X 2 E 0 and Γ2 E 00 electronic states of the cyclopropane radical cation are examined. Nuclear dynamical simulati
## Reparameterized CNDO calculations on the ground and ffrst excited states of the cycfopropaue caD"on sboow that both states are subject to significant J&n-Teller distortions. First and second order vibroaic coupling parameters derived from the calcuIations are used to predict the shape of spectr
Prominent progressions of non-toti3i& wmmctric modes majr ensue in non-iinear mokcules in electronic transitions in-% alvk~~ degenerate states in the absence of Jahn-Teller distortions. In the presence of Jabn-Tel.kr interzctions prominent non-Jahn-Teller progreesions may result Jahn-Teller distorti