Theoretical study of phenylene ethynylene macromolecules
2001 (English)In: Synthetic metals, ISSN 0379-6779, Vol. 121, no 1-3, 1271-1272 p.Article in journal (Refereed) Published
Phenylene ethynylene oligomers are valuable as linear chain molecules with extended conjugation length and as precursors of well defined macrocycles. In this work, we investigated at the second order Møller-Plesset perturbation theory level the relative stability between helices and chains formed by phenylene ethynylene oligomers connected in ortho- and meta- positions of the phenyl rings.
Place, publisher, year, edition, pages
2001. Vol. 121, no 1-3, 1271-1272 p.
p-stack, Helix-coil transition, Phenylene ethynylene
National CategoryEngineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-47451DOI: 10.1016/S0379-6779(00)01432-6OAI: oai:DiVA.org:liu-47451DiVA: diva2:268347