Hole-vibronic coupling in oligothiophenes: impact of backbone torsional flexibility on relaxation energies

Density functional theory calculations together with highly resolved gas-phase ultraviolet photoelectron spectroscopy have been applied to oligothiophene chains with up to eight thiophene rings. One of the important parameters governing the charge transport properties in the condensed phase is the a...

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Veröffentlicht in:	Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences physical, and engineering sciences, 2007-06, Vol.365 (1855), p.1435-1452
Hauptverfasser:	da Silva Filho, Demetrio A, Coropceanu, Veaceslav, Fichou, Denis, Gruhn, Nadine E, Bill, Tonja G, Gierschner, Johannes, Cornil, Jérôme, Brédas, Jean-Luc
Format:	Artikel
Sprache:	eng
Schlagworte:	Energy Gas-Phase Ultraviolet Photoelectron Spectroscopy Ionization Ionization potentials Molecules Neutrality Oligomers Photoelectron spectroscopy Reorganization Energy Spectroscopic analysis Thiophenes Transistors Vibronic Coupling
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