Effects of an applied field on the structure of finite polyenes

Citation
Sn. Yaliraki et Rj. Silbey, Effects of an applied field on the structure of finite polyenes, J PHYS CH A, 103(14), 1999, pp. 2262-2266
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
14
Year of publication
1999
Pages
2262 - 2266
Database
ISI
SICI code
1089-5639(19990408)103:14<2262:EOAAFO>2.0.ZU;2-S
Abstract
We investigate the effect of an applied field the internal molecular field produced by donor-acceptor groups, as well that of an effective field by th e environment, on the electronic properties and geometric structure of subs tituted polyenes of finite length. We use analytically tractable methods to study (a) thr effect of static field on the bond length alternation (BLA) of finite polyene rings and (b) the effect of static field on even and odd open chains. We find that the field drives the rings to lower BLA and that odd chains in a static field can show reversal of BLA through the equal bon d length limit.