Ring closure dynamics of BTE-based photochromic switches
| Autor: | Ben L. Feringa, Audrius Pugzlys, P.R. Hania, Koos Duppen, Harry T. Jonkman, J. H van Esch, J. J. D. de Jong, Linda N. Lucas |
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| Přispěvatelé: | Optical Physics of Condensed Matter, Synthetic Organic Chemistry, Molecular Energy Materials, Zernike Institute for Advanced Materials |
| Jazyk: | angličtina |
| Rok vydání: | 2005 |
| Předmět: |
Molecular switch
MOLECULAR SWITCHES Chemistry REVERSIBLE PHOTOCYCLIZATION Ring (chemistry) Photochemistry Potential energy DITHIENYLETHENE BISTHIENYLETHENE DENSITY-FUNCTIONAL THEORY Photochromism DIARYLETHENES Chemical physics SYSTEMS Excited state Molecule Density functional theory Physical and Theoretical Chemistry Excitation |
| Zdroj: | The Journal of Physical Chemistry A, 109(42), 9437-9442. AMER CHEMICAL SOC |
| ISSN: | 1520-5215 1089-5639 |
| DOI: | 10.1021/jp053386e |
| Popis: | The switching behavior of 1,2-bis(5-phenyl-2-methylthien-3-yl)perfluorocyclopentene and its nonfluorinated (perhydro) analogue are compared. For both molecules, the dynamics after optical excitation can be separated into three regimes: preswiching due to excited state mixing; the ring closure itself; postswitching related to vibrational cooling. The fluorinated version switches faster than its nonfluorinated analogue by about a factor of 4.7. This is explained by electronic level shifts near the crossing region between the S-1 and S-0 potential energy surfaces. In the nonfluorinated molecule the various levels involved in the switching have well-separated transition frequencies, which allow for a clear interpretation of experimental data. Thus, the fluorinated molecule makes a better (more efficient and faster) switch, but the nonfluorinated molecule provides a better model system for fundamental studies. |
| Databáze: | OpenAIRE |
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