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Titre du document / Document title

DFT and raman/UV-Vis-NIR spectroscopic study of fused α-oligothiophenes with five and seven rings in neutral and doped states

Auteur(s) / Author(s)

MALAVE OSUNA Reyes (1) ; PONCE ORTIZ Rocio (1) ; RUIZ DELGADO Mari Carmen (1) ; HERNANDEZ Victor (1) ; TEODOMIRO LOPEZ NAVARRETE Juan (1) ; XINNAN ZHANG (2) ; MATZGER Adam J. (2) ;

Affiliation(s) du ou des auteurs / Author(s) Affiliation(s)

(1) Department of Physical Chemistry, University of Málaga, 29071-Málaga, ESPAGNE
(2) Department of Chemistry and the Macromolecular Science and Engineering Program, University of Michigan, 930 North University, Ann Arbor, Michigan 48109-1055, ETATS-UNIS

Résumé / Abstract

We report the characterization of novel oligothienoacenes with five and seven fused thiophene rings; materials with potential applications in organic electronics. The compounds were investigated, both in their neutral and doped forms, by UV-Vis-NIR and FT-Raman spectroscopies. Density functional theory (DFT) calculations have been also performed to assess information regarding the minimum-energy molecular structure, atomic charges distribution, topologies and energies of the frontier molecular orbitals (MOs) around the gap, vibrational normal modes related to the main Raman features, and vertical one-electron excitations giving rise to the main optical absorptions.

Revue / Journal Title

Proceedings of SPIE, the International Society for Optical Engineering    ISSN  0277-786X   CODEN PSISDG 

Source / Source

Congrès
Organic optoelectronics and photonics II :   ( 3-6 April, 2006, Strasbourg, France )
Organic optoelectronics and photonics. Conference No2 , FRANCE (2006)
2006  , vol. 6192, pp. 61922S.1-61922S.9[Note(s) : various pagings, ] (20 ref.) ISBN 0-8194-6248-9 ;  Illustration : Illustration ;

Langue / Language

Anglais

Editeur / Publisher

Society of Photo-Optical Instrumentation Engineers, Bellingham, WA, ETATS-UNIS  (1981) (Revue)
SPIE, Bellingham, Wash., ETATS-UNIS  (2006) (Monographie)

Mots-clés anglais / English Keywords

Organic electronics

;

Nanoelectronics

;

Doped materials

;

Optical absorption

;

Vibrational mode

;

Molecular orbital

;

Energy distribution

;

Molecular electronics

;

Density functional method

;

Raman spectrometry

;

Mots-clés français / French Keywords

Electronique organique

;

Nanoélectronique

;

Matériau dopé

;

Absorption optique

;

Mode vibration

;

Orbitale moléculaire

;

Distribution énergie

;

Electronique moléculaire

;

Méthode fonctionnelle densité

;

Spectrométrie Raman

;

Mots-clés espagnols / Spanish Keywords

Electrónica orgánica

;

Nanoelectrónica

;

Absorción óptica

;

Modo de vibración

;

Orbital molecular

;

Distribución energía

;

Electrónica molecular

;

Espectrometría Raman

;

Localisation / Location

INIST-CNRS, Cote INIST : 21760, 35400015350516.0610

Nº notice refdoc (ud4) : 18182470



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