Elementary processes of photochemical reactions

Franck, J.; Dymond, E. G.

doi:10.1039/tf9262100536

Cited by 764 publications

(445 citation statements)

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“…4, for example, we see that it crosses the neutral molecule curve between vϭ4 and 5. From the original classical arguments of Franck, 25 we would expect molecules in the vibrational levels near vϭ5 to be the most probable for making the transition to the ionic state. The quantum treatment is much less selective, and there is significant probability that several vibrational levels can contribute, either by tunneling or by going ''over-the-barrier.''…”

Section: B Thermal Population Effectsmentioning

confidence: 99%

Dissociative electron attachment near threshold, thermal attachment rates, and vertical attachment energies of chloroalkanes

Gallup

Aflatooni

Burrow

2003

The Journal of Chemical Physics

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The peaks appearing near zero energy in the dissociative electron attachment cross section of 18 chloroalkanes are studied by electron beam methods. Fits to the experimental data are made using model cross sections having appropriate energy dependences and inclusion of the broadening due to the electron energy distribution. The magnitudes of the zero peaks are found to be well correlated with the vertical attachment energies ͑VAE͒ associated with occupation of the lowest empty orbitals of the compounds. The magnitudes rise exponentially by more than five orders of magnitude as VAE decreases from 2 eV to a slightly negative value. This dependence is a consequence not only of the thermal population of vibrational levels, but also of an approximately linear relationship between VAE and the energy of the crossing between the neutral and anion potential curves. Franck-Condon factors for the transition to the anion curve are computed for model potential curves, and the nature of the attachment from vibrational levels with energies near that of the crossing point is explored in a local potential resonance picture. A substantial contribution arises from tunneling to the anion state from vibrational levels below the barrier. Thermal attachment rate constants are also computed from our data. These are also shown to vary exponentially with VAE.

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Section: B Thermal Population Effectsmentioning

confidence: 99%

Dissociative electron attachment near threshold, thermal attachment rates, and vertical attachment energies of chloroalkanes

Gallup

Aflatooni

Burrow

2003

The Journal of Chemical Physics

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“…Franck-Condon factors (FCF) and Franck-Condon densities (FCD) describe the overlap of two vibrational wave functions in a molecule [20,21]. In the Franck-Condon approximation, the internuclear distance is considered to be fixed during an electronic transition.…”

Section: Franck-condon Factors and Franck-condon Densitiesmentioning

confidence: 99%

Vibrationally resolved ionization cross sections for the ground state and electronically excited states of the hydrogen molecule

Wünderlich

2011

Chemical Physics

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Ionization cross sections for the hydrogen molecule have been calculated by applying the classical Gryzinski theory combined with the Franck-Condon theory. It is shown that -if the reaction channels, Franck-Condon factors and Franck-Condon densities are taken into account properly -the calculated cross sections for ionization of the molecular ground state X 1 Σ + g (v ′ = 0) are in almost perfect agreement with the latest and most reliable experimental results. A comprehensive database is established which includes vibrationally resolved cross sections for non-dissociative and dissociative ionization of the molecular ground state as well as for the first five non-repulsive electronically excited states in the molecule.

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“…Associated with a transition between the electronic states there often is a simultaneous change in the vibrational state, and such transitions are called vibronic. The intensity of vibronic transitions is governed by the Franck-Condon principle [9,10]. In its classical form, the principle says that transitions are possible between vibrational states whose trajectories intersect in phase space [11] and they are most intense between states having coincident turning points.…”

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confidence: 99%