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dc.creatorWang, Xianghuai-
dc.creatorValverde Aguilar, Guadalupe-
dc.creatorWeaver, Michael N.-
dc.creatorNelsen, Stephen F.-
dc.creatorZink, Jeffrey I.-
dc.date2012-03-15T19:01:52Z-
dc.date2012-03-15T19:01:52Z-
dc.date2007-
dc.date.accessioned2013-01-16T08:37:50Z-
dc.date.available2013-01-16T08:37:50Z-
dc.date.issued2013-01-16-
dc.identifier1089-5639-
dc.identifierhttp://hdl.handle.net/123456789/108-
dc.identifier.urihttp://www.repositoriodigital.ipn.mx/handle/123456789/10632-
dc.descriptionResonance 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.languageen-
dc.publisherJournal of Physical Chemistry A-
dc.subjectResonance Raman-
dc.subjectAbsorption-
dc.titleResonance Raman De-enhancement Caused by Excited State Mixed Valence-
dc.typeArticle-
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