𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Vibronic activity in the two-photon spectrum of pyrene

✍ Scribed by G. Marconi; P.R. Salvi; R. Quacquarini

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
673 KB
Volume
107
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

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 with rhc experimental data taken from a recently observed tvvo-photon spectrum of pyrene in a Shpolskii mattil. The role of the ground-state coupling with the first escitcd B ru state has been investigated and is shown to be responsible for most of the vibronically induced two-photon intensity of the spectrum. The calculations also show that the 1310 cm-' (b,,; observed ground-state value) mode is associated with the hugest viironic coupling coefficients and the strongest two-photon amplitude tensor and therefore must be correlated with the most intense Bru X br, false origin ==1496 cm-' from the pure (O-O) line.

πŸ“œ SIMILAR VOLUMES

The two-photon excitation spectrum of py
The two-photon excitation spectrum of pyrene
✍ P.R. Salvi; P. Foggi; E. Castellucci πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 502 KB

## Recri\ed 10 Jnnuarv I983 The t\\o-photon excitation spectrum of pgrene md the polarization ratio R have been merrsured up to 52100 A. Eridencc of 3 strong vibronic coupling benreen the first 'Bz,, state and 'Aa states induced by bZu vibwtional modes is presented. By means of n nnd comparison wi

Vibronic activity in the fluorescence an
Vibronic activity in the fluorescence and absorption spectrum of pyrene
✍ G. Marconi; P.R. Salvi πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 653 KB

The vibronic coupling terms responsible for the intensity of the b,, modes in the absorption and emission spectra of pyrene and pyrene-d,, have been calculated taking into account both the Herzberg-Teller (HT) mechanism and the Born-Oppenheimer (BO) breakdown mechanism. The calculations have been ca

Vibronic and inductive effects in the tw
Vibronic and inductive effects in the two-photon spectrum of anthracene
✍ Pier Remigio Salvi πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 667 KB

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, an

The two-photon spectrum of pyrimidine. R
The two-photon spectrum of pyrimidine. Role of vibronic coupling
✍ Yi Luo; Hans Γ…gren; SΓΆren Knuts; Poul JΓΈrgensen πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 578 KB

The one and two-photon spectra of the lowest electronic states of pyrimidine are analyzed by means of response theory calculations. Particular attention is paid to the lower onsphoton forbidden (nrt') 'A2 andonaphoton allowed (r&) 'Bi and 'B2 states. Despite being electronically allowed it is found