Electronic Structure of Phenylene Vinylene Oligomers: Influence of Donor/Acceptor Substitutions
β Scribed by Cornil, J.; Dos Santos, D. A.; Beljonne, D.; Bredas, J. L.
- Book ID
- 120280714
- Publisher
- American Chemical Society
- Year
- 1995
- Tongue
- English
- Weight
- 903 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0022-3654
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We investigate the quasiparticle conformational defects (polarons, bipolarons and excitons) in the phenylene vinylene oligomers (PVOs). The most probable conformations are determined by means of the minimization of the total Hartree-Fock (HFI energy calculated at the 3-2lG level. The Hartree-Fock ca
A decade ago a class of molecules was proposed which might have a pair of lowest-energy electronic metastable states. The molecules of this sort are rigid oligomers built of N donor-acceptor pairs as monomers. One of these states (called NEU) is non-polarised; the other one (called ION) differs from