The importance of kinematic perturbations on the two-photon spectrum of benzene corresponding to the 'Bz, 6 'A,, transition is demonstrated by the spectrum of s-benzene-d3 iy in S-C6H3D3-pg, absent in the C&e spectrum (where it is ezg) appears strong-
Vibrational perturbations in the 1B2u ← 1Ag two photon spectrum of p-difluorobenzene
✍ Scribed by Surya N. Thakur; John G. Philis; Lionel Goodman
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 370 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0009-2614
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📜 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.
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