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Electronic delocalization in discotic liquid crystals : A joint experimental and theoretical study
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- Crispin, Xavier, 1972- (author)
- Linköpings universitet,Tekniska högskolan,Institutionen för teknik och naturvetenskap
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- Cornil, J. (author)
- Université de Mons-Hainaut
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- Friedlein, Rainer, 1968- (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi
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- (creator_code:org_t)
- 2004-09-04
- 2004
- English.
- In: Journal of the American Chemical Society. - : American Chemical Society (ACS). - 0002-7863 .- 1520-5126. ; 126:38, s. 11889-11899
- Journal article (peer-reviewed)
Abstract
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- Discotic liquid crystals emerge as very attractive materials for organic-based (opto)electronics as they allow efficient charge and energy transport along self-organized molecular columns. Here, angle-resolved photoelectron spectroscopy (ARUPS) is used to investigate the electronic structure and supramolecular organization of the discotic molecule, hexakis(hexylthio)diquinoxalino[2,3-a:2′,3′-c]phenazine, deposited on graphite. The ARUPS data reveal significant changes in the electronic properties when going from disordered to columnar phases, the main feature being a decrease in ionization potential by 1.8 eV following the appearance of new electronic states at low binding energy. This evolution is rationalized by quantum-chemical calculations performed on model stacks containing from two to six molecules, which illustrate the formation of a quasi-band structure with Bloch-like orbitals delocalized over several molecules in the column. The ARUPS data also point to an energy dispersion of the upper π-bands in the columns by some 1.1 eV, therefore highlighting the strongly delocalized nature of the π-electrons along the discotic stacks.
Keyword
- TECHNOLOGY
- TEKNIKVETENSKAP
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- ref (subject category)
- art (subject category)
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