Titre :

Core shell excitation of furan at the O1s and C1s edges: An experimental and ab initio study

Auteur(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]
Giuliani, Alexandre [Auteur]
Heinesch, J. [Auteur]
Hubin-Franskin, M.-J. [Auteur]

Titre de la revue :

The Journal of Chemical Physics

Pagination :

8946-8955

Éditeur :

American Institute of Physics

Date de publication :

2003-11

ISSN :

0021-9606

Mot(s)-clé(s) en anglais :

Electron scattering
Ab initio calculations
Electron correlation calculations for polyatomic molecules

Discipline(s) HAL :

Chimie/Chimie théorique et/ou physique
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]

Résumé en anglais : [en]

The K-shell spectra of gaseous furan have been measured using the inner-shell electron energy loss spectroscopy (ISEELS) method at the carbon and oxygen thresholds. Large-scale ab initio configuration interaction calculations ...
Lire la suite >The K-shell spectra of gaseous furan have been measured using the inner-shell electron energy loss spectroscopy (ISEELS) method at the carbon and oxygen thresholds. Large-scale ab initio configuration interaction calculations have been carried out in order to help in the assignments of the observed bands. The spectra are close to previous low resolution ones obtained using ISEELS in the gas phase and photoabsorption with the synchrotron radiation in gaseous and condensed phases. The presence of a new feature located at 287.3 eV in the C1s spectrum and recently detected by photoabsorption with synchrotron radiation is confirmed. At both edges, the calculations confirm the assignments proposed in earlier experimental works, with the exception of several C1s pre-edge features for which a new interpretation is given.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL