The three-photon absorprion specwum of iodine has been recorded ur.der high resolution. using both a single umable dye laser (3PlC) and independenrly wnnble pump and probe lasrrs (3PZC). Romtional analysis of the 3P1C spaxrum confirms the presence 01 the F'(O:) smle and gives improved sprclroscopic
Theoretical calculations on the three-photon absorption spectrum of benzene
β Scribed by G. Marconi; P.R. Salvi
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 522 KB
- Volume
- 193
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The three-photon absorption spectrum of benzene is discussed by means of molecular orbital calculations of allowed and vibronic three-photon intensities to S, and Ss. The coupling mechanisms responsible for vibronic absorption to these states are described and it is found that vibronic pathways peculiar of the three-photon process may occur. Allowed intensities to Si, S2 and Ss are in agreement with qualitative expectations from the altemant hydrocarbon theory. On the whole, the So-+ three-photon calculations provide a good basis to discuss available experimental data.
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.
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
The red shift of the first absorption band of benzene in the condensed phase is calculated. The solid-phase calculations are performed using the experimental crystal structure. For the liquid two different approaches are considered. One is the herringbone structure suggested by X-ray experiments, an