Investigation of valence orbitals of propene by electron momentum spectroscopy.
J Chem Phys
; 122(22): 224302, 2005 Jun 08.
Article
em En
| MEDLINE
| ID: mdl-15974663
ABSTRACT
The binding energy spectra and momentum distributions of all valence orbitals of propene were studied by electron momentum spectroscopy (EMS) as well as Hartree-Fock and density functional theoretical calculations. The experiment was carried out at impact energies of 1200 eV and 600 eV on the state-of-the-art EMS spectrometer developed at Tsinghua University recently. The experimental momentum profiles of the valence orbitals were obtained and compared with the various theoretical calculations. Moreover, the experiment with a new analysis method presents a strong support for the correct ordering of the orbital 8a' and 1a'', i.e., 9a' < 8a' < 1a'' < 7a'.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2005
Tipo de documento:
Article