| Autor: |
Schmidt M; Institute for Organic Chemistry, University of Freiburg, Albertstraße 21, 79104 Freiburg, Germany. besser@oc.uni-freiburg.de., Wassy D; Institute for Organic Chemistry, University of Freiburg, Albertstraße 21, 79104 Freiburg, Germany. besser@oc.uni-freiburg.de., Hermann M; Institute for Organic Chemistry, University of Freiburg, Albertstraße 21, 79104 Freiburg, Germany. besser@oc.uni-freiburg.de., González MT; Instituto Madrileño de Estudios Avanzados (IMDEA), Campus Universitario de Cantoblanco, Calle Faraday 9, 28049 Madrid, Spain. edmund.leary@imdea.org., Agräit N; Instituto Madrileño de Estudios Avanzados (IMDEA), Campus Universitario de Cantoblanco, Calle Faraday 9, 28049 Madrid, Spain. edmund.leary@imdea.org and Departamento de Física de la Materia Condensada, IFIMAC and Instituto 'Nicolás Cabrera', Universidad Autónoma de Madrid, E-28049, Madrid, Spain., Zotti LA; Departamento de Física Aplicada I, Escuela Politécnica Superior, Universidad de Sevilla, Seville, E-41011, Spain. lzotti@us.es and Departamento de Física Teórica de la Materia Condensada and IFIMAC, Universidad Autónoma de Madrid, E-28049 Madrid, Spain., Esser B; Institute for Organic Chemistry, University of Freiburg, Albertstraße 21, 79104 Freiburg, Germany. besser@oc.uni-freiburg.de and Freiburg Materials Research Center, University of Freiburg, Stefan-Meier-Str. 21, 79104 Freiburg, Germany and Cluster of Excellence livMatS @ FIT - Freiburg Center for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany., Leary E; Instituto Madrileño de Estudios Avanzados (IMDEA), Campus Universitario de Cantoblanco, Calle Faraday 9, 28049 Madrid, Spain. edmund.leary@imdea.org. |
| Abstrakt: |
The effects of antiaromaticity and destructive quantum interference (DQI) are investigated on the charge transport through dibenzo-[a,e]pentalene (DBP). 5,10-Connectivity gives high single-molecule conductance whereas 2,7 gives low conductance due to DQI. Comparison of the 5,10-DBP with phenyl and anthracene analogues yields the trend GDBP ≈ GAnth > GPh, despite the aromatic anthracene having a larger HOMO-LUMO gap than 5,10-DBP. This is explained by unfavourable level alignment for 5,10-DBP. |
