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Proceedings Paper

Perfluorination of tetracene: effects on the optical gap and electron-acceptor properties. An electrochemical, theoretical DFT, and Raman spectroscopic study
Author(s): Rocío Ponce Ortiz; Reyes Malavé Osuna; Mari Carmen Ruiz Delgado; Juan Casado; Víctor Hernández; Juan Teodomiro López Navarrete; Youichi Sakamoto; Toshiyasu Suzuki
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Paper Abstract

We report the synthesis and characterization of perfluorinated tetracene; a material with potential applications in organic electronics. The electrochemical behaviour of the compound is analyzed by differential pulse voltammetry, and compared with that of tetracene. The structure of perfluorotetracene is planar as observed for pentacene. We also report a comparative Raman spectroscopic study of tetracene and perfluorotetracene in relation to their π-conjugational properties. Density functional theory (DFT) calculations have been also performed, at the B3LYP/6-31G** level, to assess information regarding the topologies and energies of the frontier molecular orbitals (MOs) around the gap, and about the vibrational normal modes associated with the Raman features selectively enhanced by the π-conjugation.

Paper Details

Date Published: 20 April 2006
PDF: 11 pages
Proc. SPIE 6192, Organic Optoelectronics and Photonics II, 61922V (20 April 2006); doi: 10.1117/12.662526
Show Author Affiliations
Rocío Ponce Ortiz, Univ. of Málaga (Spain)
Reyes Malavé Osuna, Univ. of Málaga (Spain)
Mari Carmen Ruiz Delgado, Univ. of Málaga (Spain)
Juan Casado, Univ. of Málaga (Spain)
Víctor Hernández, Univ. of Málaga (Spain)
Juan Teodomiro López Navarrete, Univ. of Málaga (Spain)
Youichi Sakamoto, Institute for Molecular Science (Japan)
Toshiyasu Suzuki, Institute for Molecular Science (Japan)

Published in SPIE Proceedings Vol. 6192:
Organic Optoelectronics and Photonics II
Paul L. Heremans; Michele Muccini; Eric A. Meulenkamp, Editor(s)

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