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Experimental and Th...
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
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- Lögdlund, Michael (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
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- Dannetun, Per (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
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- Fredriksson, C. (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska högskolan
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- Stafström, Sven (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
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- Sprangler, C. W. (author)
- Deartment of Chemistry, Nothern lllinois University, USA
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- Brédas, J. L. (author)
- lService de Chimie des Materiaux Nouveaux, Université de Mons-Hainaut, Belgium
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- Salaneck, William R. (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
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(creator_code:org_t)
- Boston, MA : Springer-Verlag New York, 1994
- 1994
- English.
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In: Frontiers of Polymers and Advanced Materials. - Boston, MA : Springer-Verlag New York. - 9781461360407 - 9781461524472 ; , s. 369-382
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Abstract
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Publication and Content Type
- ref (subject category)
- kap (subject category)
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