Resonant Auger spectra of the ethene molecule excited at energies across the C1s → π* energy band are reported. Our measurements address the unexpected variation of the intensity of the A state with respect to the other singly ionized valence states. An approach, based on group theory and calculations using Coulomb 4-center integrals, is proposed to explain the behaviour of the intensity of the ground state and excited states of the ion upon resonant excitation. The new method provides a calculationally inexpensive route to predict relative intensities of different resonant Auger bands in polyatomic molecules, without the need for an exhaustive knowledge of the potential energy surfaces of the electronic states involved.

Flammini, R., Satta, M., Oʼkeeffe, P., Coreno, M., Kivimäki, A., de Simone, M., et al. (2014). An experimental and theoretical study of the resonant Auger spectrum of the ethene molecule. NEW JOURNAL OF PHYSICS, 16, 73022 [doi:10.1088/1367-2630/16/7/073022].

An experimental and theoretical study of the resonant Auger spectrum of the ethene molecule

CARBONE, MARILENA;
2014-07-17

Abstract

Resonant Auger spectra of the ethene molecule excited at energies across the C1s → π* energy band are reported. Our measurements address the unexpected variation of the intensity of the A state with respect to the other singly ionized valence states. An approach, based on group theory and calculations using Coulomb 4-center integrals, is proposed to explain the behaviour of the intensity of the ground state and excited states of the ion upon resonant excitation. The new method provides a calculationally inexpensive route to predict relative intensities of different resonant Auger bands in polyatomic molecules, without the need for an exhaustive knowledge of the potential energy surfaces of the electronic states involved.
17-lug-2014
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore CHIM/03 - CHIMICA GENERALE E INORGANICA
English
Con Impact Factor ISI
resonant Auger, ethene, group theory, 4-center integrals
Flammini, R., Satta, M., Oʼkeeffe, P., Coreno, M., Kivimäki, A., de Simone, M., et al. (2014). An experimental and theoretical study of the resonant Auger spectrum of the ethene molecule. NEW JOURNAL OF PHYSICS, 16, 73022 [doi:10.1088/1367-2630/16/7/073022].
Flammini, R; Satta, M; Oʼkeeffe, P; Coreno, M; Kivimäki, A; de Simone, M; Carbone, M; Feyer, V; Prince, K; Avaldi, L
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/93229
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