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Evolution of Charge-Induced Gap States in Short Diphenylpolyenes as Studied by Photoelectron Spectroscopy
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
Université de Mons-Hainaut, Belgium.
Northen Illinois University, USA.
Université de Mons-Hainaut, Belgium.
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1994 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, The Journal of Physical Chemistry, Vol. 98, no 11, 2853-2858 p.Article in journal (Refereed) Published
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Abstract [en]

The evolution of doping-induced electronic states within the otherwise forbidden energy gap has been studied as a function of the polyene length in a series of diphenylpolyenes. The chemical and electronic structures ha ve been studied using both X-ray and ultraviolet photoelectron spectroscopies. The results are interpreted with the help of quantum chemical calculations, performed using the semiempirical Austin Model 1 and valence effective Hamiltonian methods. The molecules studied area series of diphenylpolyenes, DPx, with x = 1-7 C=C double bonds in the pol yene part of the molecule. Since the frontier or bitals of the diphenylpolyenes are localized on the polyene chain portion of the molecule, there is a high degree of separation of the phenyl and polyene parts of the 11"-systems. Hence, many chemical and electronic properties of diphenylpolyenes are expected to be similar to those of short-chain trans-polyacetylene. For the longer molecules, n = 6 or 7, the present results indicate the presence of doubly charged, interacting soliton-antisoliton pairs, which appear as two new energy levels in the otherwise forbidden energy gap. In diphenyldecaheptaene to stilbene, i.e. 1 ≤ x ≤ 5, however, a singly charged state is formed at intermediate doping levels, after which the soliton-antisoliton pairs appear for the fully doubly charged systems. These results show that, remarkably, even for very short polyene  segments, charges transferred are stored in the form of ( confined) solitons.

Place, publisher, year, edition, pages
1994. Vol. 98, no 11, 2853-2858 p.
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Theoretical Chemistry
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URN: urn:nbn:se:liu:diva-124412DOI: 10.1021/j100062a021OAI: oai:DiVA.org:liu-124412DiVA: diva2:898698
Available from: 2016-01-29 Created: 2016-01-29 Last updated: 2017-01-18Bibliographically approved

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Dannetun, PerLögdlund, MichaelSalaneck, William R.
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