3D-conjugated systems based on oligothiophene segments grafted on a phosphorus or on a phosphine oxide node have been synthesized. Under Stille coupling conditions, bromide terminated thienyl phosphine derivatives undergo a breaking of the phosphorus-carbon bond attributed to a ligand exchange with the Pd catalyst. The electronic properties of the new compounds have been analyzed by UV-vis and fluorescence spectroscopy and cyclic voltammetry.
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J Mol Model
August 2011
Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Chihuahua, Chihuahua, México.
The electronic and structural properties of pyrrolic ring derivatives were studied using density functional theory (DFT) in terms of their application as organic semiconductor materials in photovoltaic devices. The B3LYP hybrid functional in combination with Pople type 6-31G(d) basis set with a polarization function was used in order to determine the optimized geometries and the electronic properties of the ground state, while transition energies and excited state properties were obtained from time-dependent (TD)-DFT with B3LYP/6-31G(d) calculation. The investigation of pyrrolic derivatives formed by the arrangement of several monomeric units revealed that three-dimensional (3D) conjugated architectures in which the combination of a triphenylamine (TPA) core with π-conjugated rings attached to the core, present the best geometric and electronic characteristics for use as an organic semiconductor material.
View Article and Find Full Text PDFChem Soc Rev
July 2010
WestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, UK.
Strategies for the design and construction of non-linear, 2D and 3D conjugated macromolecules are presented in this critical review. The materials, termed here as star-shaped structures, feature a core unit which may or may not provide conjugated links between arms that radiate like spokes from a central axle. The arms of the macromolecules consist of linear oligomers or irregular conjugated chains lacking a formal repeat unit.
View Article and Find Full Text PDFOrg Biomol Chem
September 2008
University of Angers, CNRS, CIMA, 2 Bd Lavoisier, 49045, Angers, France.
3D-conjugated systems based on oligothiophene segments grafted on a phosphorus or on a phosphine oxide node have been synthesized. Under Stille coupling conditions, bromide terminated thienyl phosphine derivatives undergo a breaking of the phosphorus-carbon bond attributed to a ligand exchange with the Pd catalyst. The electronic properties of the new compounds have been analyzed by UV-vis and fluorescence spectroscopy and cyclic voltammetry.
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