Electronic Properties of the 2,6-Diiododithieno[3,2-b:2′,3′-d]thiophene Molecule and Crystal: A Joint Experimental and Theoretical Study
| Autor: | Tissa Sajoto, Stephen Barlow, Tatiana V. Timofeeva, Tiffany L. Kinnibrugh, Seth R. Marder, Eung-Gun Kim, Veaceslav Coropceanu, Jean-Luc Brédas, Susan A. Odom, Roel S. Sánchez-Carrera |
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| Rok vydání: | 2009 |
| Předmět: |
Materials science
Surfaces Coatings and Films Pentacene chemistry.chemical_compound Crystallography Effective mass (solid-state physics) chemistry Computational chemistry Materials Chemistry Thiophene Molecule Density functional theory Physical and Theoretical Chemistry Cyclic voltammetry Spectroscopy Single crystal |
| Zdroj: | The Journal of Physical Chemistry B. 114:749-755 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/jp909164w |
| Popis: | The electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d] thiophene molecule and crystal are investigated by means of UV-vis spectroscopy, cyclic voltammetry, X-ray crystallography, and density functional theory. The experimental and calculated properties of the compound are compared to those exhibited by the parent molecule, dithieno[3,2-b:2',3'-d]thiophene. Quantum-chemical studies of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene crystal suggest uniaxial hole-transport character with an effective mass of about 2m(0), comparable to that in the pentacene single crystal. |
| Databáze: | OpenAIRE |
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