de.mpg.escidoc.pubman.appbase.FacesBean
Deutsch
 
Hilfe Wegweiser Impressum Kontakt Einloggen
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Zeitschriftenartikel

Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons22028

Rubio,  Angel
Centro de Física de Materiales CSIC-UPV/EHU, Materials Physics Center (MPC);
Donostia International Physics Center;
Theoretical Spectroscopy Facility (ETSF), and Nano-Bio Spectroscopy Group, ETSF Scientific Development Centre, Universidad del País Vasco;
Theory, Fritz Haber Institute, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)

e075469.pdf
(Verlagsversion), 609KB

Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

de Oteyza, D., Sakko, A., El-Sayed, A., Goin, E., Floreano, L., Cossaro, A., et al. (2012). Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules. Physical Review B, 86(7): 075469. doi:10.1103/PhysRevB.86.075469.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0010-239B-4
Zusammenfassung
The symmetry and energy distribution of unoccupied molecular orbitals is addressed in this work by means of NEXAFS and density functional theory calculations for planar, fluorinated organic semiconductors (perfluorinated copper phthalocyanines and perfluoropentacene). We demonstrate how molecular orbitals with significant density of states on the fluorine atoms show different symmetry from those mainly located on C and N atoms. As a result, the angle-dependent linear dichroism in NEXAFS F K-edge spectra is inversed with respect to that in the C and N K-edges. In addition, the significant overlap in energy of π* and σ* orbitals throughout the F K-edge spectrum hampers its use for analysis of molecular orientations from angle-dependent NEXAFS measurements.