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http://repositoriodigital.ipn.mx/handle/123456789/10630Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Valverde Aguilar, Guadalupe | - |
| dc.creator | Wang, Xianghuai | - |
| dc.creator | Nelsen, Stephen F. | - |
| dc.creator | Zink, Jeffrey I. | - |
| dc.date | 2012-03-15T18:49:19Z | - |
| dc.date | 2012-03-15T18:49:19Z | - |
| dc.date | 2006 | - |
| dc.date.accessioned | 2013-01-16T08:36:49Z | - |
| dc.date.available | 2013-01-16T08:36:49Z | - |
| dc.date.issued | 2013-01-16 | - |
| dc.identifier | 0002-7863 | - |
| dc.identifier | http://hdl.handle.net/123456789/106 | - |
| dc.identifier.uri | http://www.repositoriodigital.ipn.mx/handle/123456789/10630 | - |
| dc.description | 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. | - |
| dc.language | en | - |
| dc.publisher | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - |
| dc.subject | photoinduced electron transfer | - |
| dc.subject | resonance Raman | - |
| dc.title | Photoinduced Electron-Transfer in 2-tert-Butyl-3-(Anthracen-9-yl)-2,3-Diazabicyclo[2.2.2]octane | - |
| dc.type | Article | - |
| 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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