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(X)over-tilde(2)/A `/(A)over-tilde(2)A ` conical intersection effects on the fluorescence of NO2

Articolo
Data di Pubblicazione:
2000
Abstract:
We have analyzed the effect of the (X) over tilde(2)A'/(X) over tilde(2)A' conical intersection between the first two electronic surfaces of NO2 on the fluorescence of the molecule. Our computations are based on diabatic potentials obtained by a transformation of ab initio adiabatic potentials. We have computed time- and frequency-resolved fluorescence spectra from stationary and nonstationary states, showing the effects of the conical intersection, which slows down the fluorescence, shifts the emitted frequencies, redistributes the intensities, and increases the density of the lines. Furthermore, we have explained the low fluorescence yield observed by Dulcey et al. after optical excitation.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
conical intersection; nonadiabatic effects; time and frequency-resolved fluorescence; COLLISIONAL ENERGY-TRANSFER; HIGHLY EXCITED NO2; VIBRONIC LEVELS; STATE; X(2)A(1)-A(2)B(2); SPECTRUM; DYNAMICS
Elenco autori:
Santoro, Fabrizio
Autori di Ateneo:
SANTORO FABRIZIO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/234388
Pubblicato in:
THEORETICAL CHEMISTRY ACCOUNTS (PRINT)
Journal
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