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2005-11-03 - Article/Dans un journal avec peer-review - Anglais - 9 page(s)

Tant J., Geerts Yves, Lehmann M., De Cupere V., Zucchi G., Laursen B.W., Björnholm T., Lemaur Vincent , Marcq V., Burquel A., Hennebicq E., Gardebien F., Viville Pascal , Beljonne David , Lazzaroni Roberto , Cornil Jérôme , "Liquid Crystalline Metal-Free Phthalocyanines Designed for Charge and Exciton Transport" in Journal of Physical Chemistry B, 109, 43, 20315-20323

  • Edition : American Chemical Society, Washington (DC)
  • Codes CREF : Physique de l'état solide (DI1261), Chimie quantique (DI1321)
  • Unités de recherche UMONS : Chimie des matériaux nouveaux (S817)
  • Instituts UMONS : Institut de Recherche en Science et Ingénierie des Matériaux (Matériaux)
Texte intégral :

Abstract(s) :

(Anglais) A joint theoretical and experimental study of the electronic and structural properties of liquid crystalline metal-free phthalocyanines bearing a strong potential for charge and exciton transport has been performed. The synthesis of such compounds has been triggered by quantum chemical calculations showing that: (i) hole transport is favored in metal-free phthalocyanines by their extremely low reorganization energy (0.045 eV) and large electronic splittings; and (ii) the efficiency of energy transfer along the one-dimensional discotic stacks is weakly affected by rotational disorder due to the two-dimensional character of the molecules. We have synthesized two metal-free phthalocyanines with different branched aliphatic chains on the gram scale to allow for a full characterization of their solid-state properties. The two compounds self-organize in liquid crystalline mesophases, as evidenced by optical microscopy, differential scanning calorimetry, X-ray powder diffraction, and molecular dynamics simulations. They exhibit a columnar rectangular mesophase at room temperature and a columnar hexagonal mesophase at elevated temperature.

Notes :
  • (Anglais) Publié le 8 octobre 2005
Identifiants :
  • DOI : 10.1021/jp054778o