http://www.cnr.it/ontology/cnr/individuo/prodotto/ID190150
VIBRATIONAL STATE DEPENDENCE OF AND D ASYMMETRY PARAMETERS FOR THE HOMO PHOTOELECTRON BAND OF METHYLOXIRANE (Abstract/Poster in convegno)
- Type
- Label
- VIBRATIONAL STATE DEPENDENCE OF AND D ASYMMETRY PARAMETERS FOR THE HOMO PHOTOELECTRON BAND OF METHYLOXIRANE (Abstract/Poster in convegno) (literal)
- Anno
- 2008-01-01T00:00:00+01:00 (literal)
- Alternative label
G. Contini, N. Zema, S. Turchini, D. Catone, T. Prosperi, V. Carravetta, P. Bolognesi,
L. Avaldi, V. Feyer (2008)
VIBRATIONAL STATE DEPENDENCE OF AND D ASYMMETRY PARAMETERS FOR THE HOMO PHOTOELECTRON BAND OF METHYLOXIRANE
in Società Italiana di Luce di Sicrotrone - XVI Congresso, Palermo, Italia, 26-28/06/2008
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- G. Contini, N. Zema, S. Turchini, D. Catone, T. Prosperi, V. Carravetta, P. Bolognesi,
L. Avaldi, V. Feyer (literal)
- Note
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- CNR-ISM, Via Del Fosso del Cavaliere 100, I-00133 Roma, Italy
CNR-IPCF, via Moruzzi 1, I-56124 Pisa, Italy
CNR-IMIP, CP10, I-00016 Monterotondo Scalo, Italy
CNR-IMIP, CP10, I-00016 Monterotondo Scalo, Italy and Sincrotrone Trieste, Area Science Park, I-34012 Basovizza, Trieste, Italy (literal)
- Titolo
- VIBRATIONAL STATE DEPENDENCE OF AND D ASYMMETRY PARAMETERS FOR THE HOMO PHOTOELECTRON BAND OF METHYLOXIRANE (literal)
- Abstract
- The effects of the vibrational excitations in the ionic state on the ? and D asymmetry parameters of
the highest occupied molecular orbital (HOMO) photoelectron spectrum of gas phase methyloxirane molecule have been studied. The ? angular asymmetry and D dichroic asymmetry
parameters of the HOMO band have been experimentally investigated with vibrational resolution
using synchrotron radiation. A theoretical calculation of the Franck-Condon (FC) factors between
vibrational ground state and different ionic vibrational states, in the Born-Oppenheimer harmonic
approximation, has been performed in order to gain information on the vibrational states mainly
involved in the HOMO photoelectron band. The general good agreement between theoretical and
experimental results allows a reliable assignment of the major features. The computed FC factors
distribution reveals that only a small number of vibrational modes are significantly activated in the
photoelectron process. The dependence of the ? and D asymmetry parameters as a function of the
ionisation energy is experimentally observed and interpreted as dependent on different final
vibrational states. Larger D values are observed in the spectral region where transitions with small
vibrational quantum numbers (0 or 1) are mainly involved; smaller D values are found, instead,
when transitions with large vibrational quantum number are involved. It is proposed to attribute this
effect to the different mean molecular geometries of the final vibrational ionic state, i.e. to the
different mean internuclear distances at which the transitions occur.
This contribution reports, for the first time, the experimental evidence of the dependence of
the dichroic D parameter on the vibrational excitation of the ion in a photoelectron valence
spectrum. (literal)
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