Excited states of ladder-type poly-p-phenylene oligomers - art. no. 045122

Authors
Rissler, J Bassler, H Gebhard, F Schwerdtfeger, P
Citation
J. Rissler et al., Excited states of ladder-type poly-p-phenylene oligomers - art. no. 045122, PHYS REV B, 6404(4), 2001, pp. 5122
Citations number
34
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
6404
Issue
4
Year of publication
2001
Database
ISI
SICI code
0163-1829(20010715)6404:4<5122:ESOLPO>2.0.ZU;2-O
Abstract
The ground-state properties and excited states of ladder-type paraphenylene oligomers are calculated applying semiempirical methods for up to 11 pheny lene rings. The results are in qualitative agreement with experimental data . A scheme to interpret the excited states is developed which reveals the e xcitonic nature of the excited states. The electron-hole pair of the S-1 st ate has a mean distance of approximately 4 Angstrom.