Resonant Auger spectra of the ethene molecule excited at energies across the C1s -> pi* 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.

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

R Flammini;M Satta;P O'Keeffe;M Coreno;M de Simone;L Avaldi
2014

Abstract

Resonant Auger spectra of the ethene molecule excited at energies across the C1s -> pi* 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.
2014
Istituto di Struttura della Materia - ISM - Sede Roma Tor Vergata
Istituto per lo Studio dei Materiali Nanostrutturati - ISMN
Istituto Officina dei Materiali - IOM -
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/264580
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