English   español  
Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/95450
Compartir / Impacto:
Estadísticas
Add this article to your Mendeley library MendeleyBASE
Citado 13 veces en Web of Knowledge®  |  Ver citas en Google académico
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar otros formatos: Exportar EndNote (RIS)Exportar bibText (RIS)Exportar csv (RIS)
Título

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

AutorOteyza, D. G. de ; Sayed, A. el ; Goiri, Elizabeth ; Floreano, Luca; García-Lastra, J. M.; Rubio, Angel; Ortega, J. Enrique
Fecha de publicación2012
EditorAmerican Physical Society
CitaciónPhysical Review B 86: 075469 (2012)
ResumenThe 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. © 2012 American Physical Society.
Descripciónet al.
Versión del editorhttp://dx.doi.org/10.1103/PhysRevB.86.075469
URIhttp://hdl.handle.net/10261/95450
DOI10.1103/PhysRevB.86.075469
Identificadoresdoi: 10.1103/PhysRevB.86.075469
issn: 1098-0121
e-issn: 1550-235X
Aparece en las colecciones: (CFM) Artículos
Ficheros en este ítem:
Fichero Descripción Tamaño Formato  
Inversed linear dichroism.pdf608,33 kBAdobe PDFVista previa
Visualizar/Abrir
Mostrar el registro completo
 



NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.