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A study of the elec...
A study of the electronic structure of ethylenedioxythiophene in gas phase using NEXAFS and quantum chemical calculations
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Birgerson, J. (författare)
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Keil, M. (författare)
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- Luo, Yi (författare)
- KTH,Bioteknologi,Theoretical Chemistry, Royal Institute of Technology, S-100 44 Stockholm, Sweden
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- Svensson, S. (författare)
- Department of Physics, Uppsala University, S-751 21 Uppsala, Sweden
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- Ågren, Hans (författare)
- KTH,Bioteknologi,Ågren, H., Theoretical Chemistry, Royal Institute of Technology, S-100 44 Stockholm, Sweden
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- Salaneck, William R (författare)
- Linköpings universitet,Tekniska högskolan,Ytors Fysik och Kemi
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(creator_code:org_t)
- Elsevier BV, 2004
- 2004
- Engelska.
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 392:1-3, s. 100-104
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Near-edge X-ray absorption fine structure spectroscopy spectra of ethylenedioxythiophene has been recorded in gas phase at the carbon K-edge, sulphur L-edge and oxygen, K-edge. The experimental data has been interpreted with the help of a modified density functional code deMon. The good agreement between the calculated spectra and the measured one allows us to assign all observed resonances. The existence of pi* resonances in both the measured and the calculated OK-edge adsorption spectrum demonstrate that the delocalized pi-system of the thiophene part of the molecule is extended up to the oxygen atoms of the molecule.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Nyckelord
- ray-absorption spectra
- light-emitting-diodes
- carbon 1s
- poly(3
- 4-ethylenedioxythiophene)
- transition
- TECHNOLOGY
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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