Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules (Articolo in rivista)

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  • Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules (Articolo in rivista) (literal)
Anno
  • 2012-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.86.075469 (literal)
Alternative label
  • D. G. de Oteyza,1,2, A. Sakko,3,4 A. El-Sayed,5 E. Goiri,6 L. Floreano,7 A. Cossaro,7 J. M. Garcia-Lastra,8,9 A. Rubio,1,6,9,10 and J. E. Ortega (2012)
    Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules
    in Physical review. B, Condensed matter and materials physics; American Physical Society (APS), College Pk (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • D. G. de Oteyza,1,2, A. Sakko,3,4 A. El-Sayed,5 E. Goiri,6 L. Floreano,7 A. Cossaro,7 J. M. Garcia-Lastra,8,9 A. Rubio,1,6,9,10 and J. E. Ortega (literal)
Pagina inizio
  • 075469 (literal)
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  • http://prb.aps.org/pdf/PRB/v86/i7/e075469 (literal)
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  • 86 (literal)
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  • 6 (literal)
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  • 7 (literal)
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  • ISI Web of Science (WOS) (literal)
  • Scopus (literal)
  • Google Scholar (literal)
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  • 1 Centro de F´?sica de Materiales CSIC-UPV/EHU, Materials Physics Center (MPC), Paseo Manuel Lardizabal 3, 20018 San Sebasti´an, Spain 2 University of California at Berkeley, Physics Department, Berkeley, California 94720, USA 3 Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Finland 4 Department of Physics, P.O. Box 64, FI-00014, University of Helsinki, Finland 5 Departamento de F´?sica Aplicada, Universidad del Pais Vasco, Pza. O~nate 2, 20018 San Sebasti´an, Spain 6 Donostia International Physics Center, Paseo Manuel Lardizabal 4, 20018 San Sebasti´an, Spain 7 CNR-IOM, Instituto Officina dei Materiali, Laboratorio TASC, Bassovizza SS-14, km 163.5, I-34149 Trieste, Italy 8 Center for Atomic-Scale Materials Design (CAMD), Department of Physics, Technical University of Denmark. Fysikvej 1, 2800 Kgs. Lyngby, Denmark 9 Theoretical Spectroscopy Facility (ETSF), and Nano-Bio Spectroscopy Group, ETSF Scientific Development Centre, Universidad del Pa´?s Vasco, Av. Tolosa 72, E-20018 San Sebasti´an, Spain 10 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Theory Department, Faradayweg 4-6, D-14195 Berlin-Dahlem, Germany (literal)
Titolo
  • Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules (literal)
Abstract
  • The symmetry and energy distribution of unoccupied molecular orbitals is addressed in this work by means of NEXAFSand 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 ?* and ?* orbitals throughout the F K-edge spectrum hampers its use for analysis of molecular orientations from angle-dependent NEXAFS measurements. (literal)
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