http://www.cnr.it/ontology/cnr/individuo/prodotto/ID39245
Theory of electroabsorption spectroscopy in poly-nuclear Ru complexes (Articolo in rivista)
- Type
- Label
- Theory of electroabsorption spectroscopy in poly-nuclear Ru complexes (Articolo in rivista) (literal)
- Anno
- 2003-01-01T00:00:00+01:00 (literal)
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- impact factor 2002 = 5.853 (literal)
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#descrizioneSinteticaDelProdotto
- Lo stato dell'arte dell'interpretazione teorica degli spettri di elettroassorbimento e delle grandezze fisiche da questi derivabili e' rivisto criticamente e confrontato con moderni ed originali approcci computazionali per il calcolo delle forme di riga delle transizioni elettroniche nel NIR-IR. (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Titolo
- Theory of electroabsorption spectroscopy in poly-nuclear Ru complexes (literal)
- Abstract
- Electroabsorption spectroscopy is a powerful experimental technique for the study of the charge transfer states of inorganic
molecules. From the difference between the near IR-vis spectra, with and without the application of an electric field, it is possible to
extract the value of the variation of dipole moment and polarizability in the transition between the ground and the first few low lying
excited states of mono- and poly-nuclear ligand-bridged transition metal complexes. How these quantities and the difference spectra
themselves can be obtained by theoretical methods is the subject of the present review. After a brief outline of the experiments and of
the background theory which is used to obtain the relevant parameters from the measured difference spectra, the two-state electronic
model and its connections to electroabsorption spectra are discussed. The inclusion of selected nuclear degrees of freedom and
electronic correlation effects in the computation of line-shape profiles are then examined. This is done within the framework of
simple model Hamiltonians which may be applied to the study of the optical properties of the various members of a class of Ruligand
poly-nuclear complexes, as well as by the use of extensive ab initio multireference CI calculations. (literal)
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