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Experimental and Theoretical Studies of the Interaction of Metals with Polymer Surfaces: A Case Study of the Use of a Model Molecular System to Study the Nature of Charge Storage in Short Polyenes
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
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1994 (English)In: Frontiers of Polymers and Advanced Materials / [ed] Paras N Prasad, Springer-Verlag New York, 1994, 369-382 p.Chapter in book (Refereed)
Abstract [en]

The electronic and geometric changes in polyenes induced by doping with sodium have been studied using X-ray and Ultraviolet Photoeclectron Spectroscopy, and quantum chemical calculations. The molecular geometry changes induced by doping have been studied using the semiempirical Austin Model 1 method, the results of which has served as input parameters for Valence Effective Hamiltonian band structure calculations, which are compared with the experimental density-of-states data. The molecules studied are members of a series of diphenylpolyenes with 4, 5, 6 ir 7 C=C double bonds in the polyene part of the molecule, i.e., the series DPx, with x = 4, 5, 6 or 7. Since the frontier orbitals of the diphenylpolyenes are localized mostly on the polyene chain portion of the molecule, there is a high degree of separations in energy of the phenyl and polyene parts of the π-system. Hence, many chemical and electronic properties of diphenylpolyenes are similar to those of (at least short chain) trans-polyacerylene. The present doping results indicate the charge is stored in short polyenes in the form of two confined solitons per molecule.

Place, publisher, year, edition, pages
Springer-Verlag New York, 1994. 369-382 p.
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-124169DOI: 10.1007/978-1-4615-2447-2ISBN: 978-1-4613-6040-7 (Softcover)ISBN: 978-1-4615-2447-2 (eBook)OAI: oai:DiVA.org:liu-124169DiVA: diva2:896097
Available from: 2016-01-20 Created: 2016-01-20 Last updated: 2016-02-01Bibliographically approved

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Stafström, SvenSalaneck, William R.
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