liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
Electronic delocalization in discotic liquid crystals: A joint experimental and theoretical study
Linköping University, The Institute of Technology. Linköping University, Department of Science and Technology.ORCID iD: 0000-0001-8845-6296
Université de Mons-Hainaut.
Linköping University, Department of Physics, Chemistry and Biology.
Chiba University.
Show others and affiliations
2004 (English)In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 126, no 38, 11889-11899 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2004. Vol. 126, no 38, 11889-11899 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-22579DOI: 10.1021/ja048669jLocal ID: 1854OAI: diva2:242892
Available from: 2009-10-07 Created: 2009-10-07 Last updated: 2013-09-12

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Crispin, XavierFriedlein, RainerCrispin, AnnicaFahlman, MatsSalaneck, William R
By organisation
The Institute of TechnologyDepartment of Science and TechnologyDepartment of Physics, Chemistry and Biology
In the same journal
Journal of the American Chemical Society
Engineering and Technology

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 32 hits
ReferencesLink to record
Permanent link

Direct link