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Theoretical study of phenylene ethynylene macromolecules
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
2001 (English)In: Synthetic metals, ISSN 0379-6779, Vol. 121, no 1-3, 1271-1272 p.Article in journal (Refereed) Published
Abstract [en]

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.
Keyword [en]
p-stack, Helix-coil transition, Phenylene ethynylene
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-47451DOI: 10.1016/S0379-6779(00)01432-6OAI: diva2:268347
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-13

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Stafström, Sven
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The Institute of TechnologyComputational Physics
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