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

Publication: Research - peer-reviewJournal article – Annual report year: 2012

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Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules. / de Oteyza, D. G.; Sakko, A.; El-Sayed, A.; Goiri, E.; Floreano, L.; Cossaro, A.; García Lastra, Juan Maria; Rubio, A.; Ortega, J. E.

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 7, 2012, p. 075469.

Publication: Research - peer-reviewJournal article – Annual report year: 2012

Harvard

de Oteyza, DG, Sakko, A, El-Sayed, A, Goiri, E, Floreano, L, Cossaro, A, García Lastra, JM, Rubio, A & Ortega, JE 2012, 'Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules' Physical Review B (Condensed Matter and Materials Physics), vol 86, no. 7, pp. 075469., 10.1103/PhysRevB.86.075469

APA

de Oteyza, D. G., Sakko, A., El-Sayed, A., Goiri, E., Floreano, L., Cossaro, A., García Lastra, J. M., Rubio, A., & Ortega, J. E. (2012). Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules. Physical Review B (Condensed Matter and Materials Physics), 86(7), 075469. 10.1103/PhysRevB.86.075469

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MLA

Vancouver

Author

de Oteyza, D. G.; Sakko, A.; El-Sayed, A.; Goiri, E.; Floreano, L.; Cossaro, A.; García Lastra, Juan Maria; Rubio, A.; Ortega, J. E. / Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules.

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 86, No. 7, 2012, p. 075469.

Publication: Research - peer-reviewJournal article – Annual report year: 2012

Bibtex

@article{d4e07724fe214d79ac187d87023fd9c7,
title = "Inversed linear dichroism in F <em>K</em>-edge NEXAFS spectra of fluorinated planar aromatic molecules",
publisher = "American Physical Society",
author = "{de Oteyza}, {D. G.} and A. Sakko and A. El-Sayed and E. Goiri and L. Floreano and A. Cossaro and {García Lastra}, {Juan Maria} and A. Rubio and Ortega, {J. E.}",
note = "©2012 American Physical Society",
year = "2012",
doi = "10.1103/PhysRevB.86.075469",
volume = "86",
number = "7",
pages = "075469",
journal = "Physical Review B (Condensed Matter and Materials Physics)",
issn = "1098-0121",

}

RIS

TY - JOUR

T1 - Inversed linear dichroism in F <em>K</em>-edge NEXAFS spectra of fluorinated planar aromatic molecules

A1 - de Oteyza,D. G.

A1 - Sakko,A.

A1 - El-Sayed,A.

A1 - Goiri,E.

A1 - Floreano,L.

A1 - Cossaro,A.

A1 - García Lastra,Juan Maria

A1 - Rubio,A.

A1 - Ortega,J. E.

AU - de Oteyza,D. G.

AU - Sakko,A.

AU - El-Sayed,A.

AU - Goiri,E.

AU - Floreano,L.

AU - Cossaro,A.

AU - García Lastra,Juan Maria

AU - Rubio,A.

AU - Ortega,J. E.

PB - American Physical Society

PY - 2012

Y1 - 2012

N2 - <p>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 <em>K</em>-edge spectra is inversed with respect to that in the C and N <em>K</em>-edges. In addition, the significant overlap in energy of π* and σ* orbitals throughout the F <em>K</em>-edge spectrum hampers its use for analysis of molecular orientations from angle-dependent NEXAFS measurements.</p>

AB - <p>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 <em>K</em>-edge spectra is inversed with respect to that in the C and N <em>K</em>-edges. In addition, the significant overlap in energy of π* and σ* orbitals throughout the F <em>K</em>-edge spectrum hampers its use for analysis of molecular orientations from angle-dependent NEXAFS measurements.</p>

U2 - 10.1103/PhysRevB.86.075469

DO - 10.1103/PhysRevB.86.075469

JO - Physical Review B (Condensed Matter and Materials Physics)

JF - Physical Review B (Condensed Matter and Materials Physics)

SN - 1098-0121

IS - 7

VL - 86

SP - 075469

ER -