A CNDO/S Cl calculation of the two-photon vibronic activity of some btu and bzu vibrational modes of pyrenc is prcsented. The two-photon amplitude tensor is discussed in terms of vibronic coupling cocfticients calculated by means of the orbitat-following method. The results are in good agreement wit
Vibronic and inductive effects in the two-photon spectrum of anthracene
β Scribed by Pier Remigio Salvi
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 667 KB
- Volume
- 116
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The two-photon fluorescence excitation spectra of anthracene and a&dine in a Shpolskii matrix at 10 K, and anthracene and 9-methylanthracene in solution at room temperature, have been measured in the 3200-3900 A region. By means of the perturbation selection rules of alternant hydrocarbon theory, and a comparative analysis of the two-photon spectra of the three molecules, we have assigned the portion of the antbraccne spectrum below 28000 cm-' to the first electronic, i.e. B,,+, system and that above 28000 cm-' to the second electronic, i e. &"-, system. Our results give definite evidence of the elusive second electronic TIT* excited state.
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