Structure and properties of polythiophene containing hetero aromatic side chains

The optical properties of substituted thiophenes with diverse structures have been analysed using molecular orbital calculations in order to understand the structure–property relations. Based on theoretical predictions, synthesis of some model compounds has been attempted. The experimentally obtaine...

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Veröffentlicht in:	Computational materials science 2006-09, Vol.37 (3), p.318-322
Hauptverfasser:	Radhakrishnan, S., Parthasarathi, R., Subramanian, V., Somanathan, N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Band gap Condensed matter: electronic structure, electrical, magnetic, and optical properties Conjugated polymer Exact sciences and technology Molecular orbital calculations Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation Photoluminescence Physics Solid organic materials UV–visible spectroscopy
Online-Zugang:	Volltext
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Zusammenfassung:	The optical properties of substituted thiophenes with diverse structures have been analysed using molecular orbital calculations in order to understand the structure–property relations. Based on theoretical predictions, synthesis of some model compounds has been attempted. The experimentally obtained optical properties are in close agreement with the theoretically obtained results.
ISSN:	0927-0256 1879-0801
DOI:	10.1016/j.commatsci.2005.08.009