We perform multiconfiguration quadratic response theory calculations of vibronically induced symmetry and parity forbidden 'A,k-'B2,, two-photon transitionsofbenzene. The followingorder ofvibronic activity is found; Y,.,> Y,~> Y,~z= Y,~> Y!,> Y,\*> Y?,,. The two-photon activity is crucially dependen
CNDO-calculation of second order vibronic coupling in the 1B2u-1A1g transition of benzene
β Scribed by Gad Fischer; J.R. Reimers; I.G. Ross
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 562 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0301-0104
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π SIMILAR VOLUMES
The three-photon spectrum of the 'Bzu-l Alg transition in gas-phase benzene has been recorded and analyzed. Though formally allowed at the three-photon level, this transition is seen to be entirely vibronically induced. The last unknown e2g vibration (vg) in the 'Bzu state is identified.
The change in the in-plane polxizability of benzene uPon excitation from the 'Atg state to the 'Bzu state is deduced from electric field perturbation experiments. These are carried out on the First vibronically allowed band of benzene in a rigid solution of 3.methylpentane (3.XIP) at 7?K. The obser
The absorption spectra of biphenylJl lo and -dlo crystals in the region of the lAlg + lBag, lBzu transitions are interpreted in terms of vibronic coupling of the two closely spaced electronic states by six bl, vibrations.