Electronic excitations in stacked oligothiophenes

Citation
M. Yurtsever et E. Yurtsever, Electronic excitations in stacked oligothiophenes, SYNTH METAL, 119(1-3), 2001, pp. 247-248
Citations number
7
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779 → ACNP
Volume
119
Issue
1-3
Year of publication
2001
Pages
247 - 248
Database
ISI
SICI code
0379-6779(20010315)119:1-3<247:EEISO>2.0.ZU;2-I
Abstract
Electronic spectroscopy of oligothiophenes is studied using the semi-empiri cal ZINDO methodology. Geometry of the neutral, and doubly charged bipolaro nic forms of oligomers from 3T to 8T are optimized. Their coordinates are t hen used to generate various stacked structures up to tetramers. The effect s of the length of the chains, number of layers in stacks, stacking distanc e between chains, deviation from planarity and number and relative position s of bipolaronic forms on the shapes of the electronic excitations are inve stigated.