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Campo DC | Valor | Lengua/Idioma |
---|---|---|
dc.creator | Wang, Xianghuai | - |
dc.creator | Valverde Aguilar, Guadalupe | - |
dc.creator | Weaver, Michael N. | - |
dc.creator | Nelsen, Stephen F. | - |
dc.creator | Zink, Jeffrey I. | - |
dc.date | 2012-03-15T19:01:52Z | - |
dc.date | 2012-03-15T19:01:52Z | - |
dc.date | 2007 | - |
dc.date.accessioned | 2013-01-16T08:37:50Z | - |
dc.date.available | 2013-01-16T08:37:50Z | - |
dc.date.issued | 2013-01-16 | - |
dc.identifier | 1089-5639 | - |
dc.identifier | http://hdl.handle.net/123456789/108 | - |
dc.identifier.uri | http://www.repositoriodigital.ipn.mx/handle/123456789/10632 | - |
dc.description | Resonance Raman and absorption spectra of 9,10-bis(2-tert-butyl-2,3-diazabicyclo[2.2.2]oct-3-yl)-anthracene (2) are measured and analyzed. The contribution of the individual vibrational normal modes to the reorganization energy is investigated. Excited-state mixed valence in this system is analyzed using density functional theory electronic structure calculations. The resonance Raman excitation profiles exhibit a resonance de-enhancement effect around 20 725 cm-1, but a corresponding feature is not observed in the absorption spectrum. This unusual observation is attributed to the presence of a dipole-forbidden, vibronically allowed component of the split mixed valence excited state. The de-enhancement dip is calculated quantitatively and explained in terms of the real and imaginary components of the polarizabilities of the two overlapping excited states. | - |
dc.language | en | - |
dc.publisher | Journal of Physical Chemistry A | - |
dc.subject | Resonance Raman | - |
dc.subject | Absorption | - |
dc.title | Resonance Raman De-enhancement Caused by Excited State Mixed Valence | - |
dc.type | Article | - |
Aparece en las colecciones: | Doctorado |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
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JPC A_dip paper 2007.pdf | 190.44 kB | Adobe PDF | Visualizar/Abrir |
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