Protonated benzene dimer: an experimental and ab initio study
| Autor: | Ivan Alata, Reza Omidyan, I B Nielsen, Michel Broquier, Claude Dedonder, Christophe Jouvet, Shamik Chakraborty |
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| Přispěvatelé: | Centre Laser de l'Université Paris Sud (CLUPS), Université Paris-Sud - Paris 11 (UP11), Institut für Optik und Atomare Physik, Technische Universität Berlin (TU), Centre laser université Paris Sud (CLUPS), Department of Chemistry, University of Isfahan, Laboratoire de Photophysique Moléculaire (PPM), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2009 |
| Předmět: |
010304 chemical physics
Absorption spectroscopy Dimer Ab initio Protonation General Chemistry 010402 general chemistry 7. Clean energy 01 natural sciences Biochemistry Molecular physics Catalysis 0104 chemical sciences [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry chemistry.chemical_compound Colloid and Surface Chemistry chemistry Ab initio quantum chemistry methods Excited state 0103 physical sciences Physics::Atomic and Molecular Clusters Atomic physics Physics::Chemical Physics Benzene Excitation |
| Zdroj: | Journal of the American Chemical Society Journal of the American Chemical Society, American Chemical Society, 2009, 131 (31), pp.11091-7. ⟨10.1021/ja903181k⟩ |
| ISSN: | 0002-7863 1520-5126 |
| DOI: | 10.1021/ja903181k⟩ |
| Popis: | International audience; The excitation spectrum of the protonated benzene dimer has been recorded in the 415-600 nm wavelength range. In contrast to the neutral iso-electronic benzene dimer, its absorption spectrum extends in the visible spectral region. This huge spectral shift has been interpreted with ab initio calculations, which indicate that the first excited states should be charge transfer states. |
| Databáze: | OpenAIRE |
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