Core shell excitation of 2-propenal ...
Document type :
Compte-rendu et recension critique d'ouvrage
DOI :
Title :
Core shell excitation of 2-propenal (acrolein) at the O 1s and C 1s edges: An experimental and ab initio study
Author(s) :
Duflot, D. [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Flament, J.-P. [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Walker, I. C. [Auteur]
Heinesch, J. [Auteur]
Hubin-Franskin, M.-J. [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Flament, J.-P. [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Walker, I. C. [Auteur]
Heinesch, J. [Auteur]
Hubin-Franskin, M.-J. [Auteur]
Journal title :
The Journal of Chemical Physics
Pages :
1137-1145
Publisher :
American Institute of Physics
Publication date :
2003-01
ISSN :
0021-9606
English keyword(s) :
Electron scattering
X-ray spectra
X-ray spectra
HAL domain(s) :
Chimie/Chimie théorique et/ou physique
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
English abstract : [en]
The carbon and oxygen K-shell spectra of gaseous 2-propenal (acrolein) have been measured using the inner-shell electron energy loss spectroscopy method. Large scale ab initio configuration interaction calculations have ...
Show more >The carbon and oxygen K-shell spectra of gaseous 2-propenal (acrolein) have been measured using the inner-shell electron energy loss spectroscopy method. Large scale ab initio configuration interaction calculations have been carried out to enable firm assignments of the observed bands. The overall shapes of the spectra are similar to previous low resolution monolayer and multilayer phases NEXAFS spectra recorded by photoabsorption of synchrotron radiation, but the spectral bands are much better resolved than the earlier ones. The spectra are dominated by excitation of π* type states and by interaction between the C=C and C=O π* orbitals.Show less >
Show more >The carbon and oxygen K-shell spectra of gaseous 2-propenal (acrolein) have been measured using the inner-shell electron energy loss spectroscopy method. Large scale ab initio configuration interaction calculations have been carried out to enable firm assignments of the observed bands. The overall shapes of the spectra are similar to previous low resolution monolayer and multilayer phases NEXAFS spectra recorded by photoabsorption of synchrotron radiation, but the spectral bands are much better resolved than the earlier ones. The spectra are dominated by excitation of π* type states and by interaction between the C=C and C=O π* orbitals.Show less >
Language :
Anglais
Popular science :
Non
Source :