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http://repositoriodigital.ipn.mx/handle/123456789/10630| Título : | Photoinduced Electron-Transfer in 2-tert-Butyl-3-(Anthracen-9-yl)-2,3-Diazabicyclo[2.2.2]octane |
| Palabras clave : | photoinduced electron transfer resonance Raman |
| Fecha de publicación : | 16-ene-2013 |
| Editorial : | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY |
| Descripción : | Intramolecular photoinduced electron transfer from a hydrazine unit to an aromatic group is studied by resonance Raman spectroscopy and electronic absorption spectroscopy. Substituted hydrazine functional groups have played an important role in studies of electron-transfer reactions, photoinduced intramolecular electron transfer, and of mixed valence. A prototypical compound, 2-tert-butyl-3-(anthracen-9-yl)-2,3-diazabicyclo[2.2.2]octane, that has the hydrazine-to-anthracene charge-transfer band in a region of the visible spectrum suitable for detailed resonance Raman spectroscopy is studied in detail. Excitation profiles are obtained, calculated quantitatively by using time-dependent theoretical methods, and interpreted with the assistance of molecular orbital calculations. Excited-state distortions are calculated. The largest distortions occur on the hydrazine unit; the normal mode showing the largest distortion (659 cm-1, calculated at 665 cm-1) involves an out-of-plane C-N-N-C bend consistent with removing an electron from the N-N ð antibonding orbital. Anthracene ring-centered C-C stretches also are enhanced, consistent with populating an antibonding ð orbital centered on the ring. Excellent fits to all of the excitation profiles and to the absorption band are obtained using one set of excited-state potential surfaces. |
| URI : | http://www.repositoriodigital.ipn.mx/handle/123456789/10630 |
| Otros identificadores : | 0002-7863 http://hdl.handle.net/123456789/106 |
| Aparece en las colecciones: | Doctorado |
Ficheros en este ítem:
| Fichero | Descripción | Tamaño | Formato | |
|---|---|---|---|---|
| MonoanthraceneJACS2006.pdf | 117.04 kB | Adobe PDF | Visualizar/Abrir |
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