Single dibenzoterrylene molecules in an anthracene crystal: Main insertion sites
| Autor: | Patrice Bordat, Aurélien A. L. Nicolet, M. A. Kol'chenko, Ross Brown, Michel Orrit, Bolesław Kozankiewicz, Clemens Hofmann |
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| Přispěvatelé: | Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux (IPREM), Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2007 |
| Předmět: |
02 engineering and technology
Molecular dynamics 01 natural sciences Molecular physics Molecular conformation Crystal symbols.namesake chemistry.chemical_compound 0103 physical sciences Molecule [CHIM]Chemical Sciences Physical and Theoretical Chemistry 010306 general physics Dibenzoterrylene Insertion Anthracene Single-molecule studies 021001 nanoscience & nanotechnology Line width Atomic and Molecular Physics and Optics Dipole Stark effect chemistry symbols Physical chemistry 0210 nano-technology |
| Zdroj: | ChemPhysChem ChemPhysChem, Wiley-VCH Verlag, 2007, 8 (13), pp.1929--1936. ⟨10.1002/cphc.200700340⟩ |
| ISSN: | 1439-4235 1439-7641 |
| DOI: | 10.1002/cphc.200700340⟩ |
| Popis: | International audience; We present a spectroscopic study of the properties of the two principal insertion sites (at 785.1 and 794.3 nm) of single dibenzoterrylene molecules in anthracene single crystals at cryogenic temperatures. We measured the temperature dependence of the line width, the orientation of the transition dipole moments, and the Stark effect. We performed molecular dynamics simulations, which show that one dibenzoterrylene molecule preferably repla ces three anthracene molecules. From simulated annealing, we derive the molecular conformations in the most stable insertion sites and the orientations of the transition dipole moments. The good agreement between the spectroscopic results and the simulations allows us to propose unambiguous structures for the two principal spectroscopic sites. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA. |
| Databáze: | OpenAIRE |
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