Geometry relaxation in the excited states and its effects on the electronic properties of the Er(8-hydroxyquinolate)(3) complex (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Geometry relaxation in the excited states and its effects on the electronic properties of the Er(8-hydroxyquinolate)(3) complex (Articolo in rivista) (literal)

Anno

• 2006-01-01T00:00:00+01:00 (literal)

Alternative label

• Ottonelli, M; Izzo, GMM; Musso, GF; Dellepiane, G; Tubino, R (2006)
  Geometry relaxation in the excited states and its effects on the electronic properties of the Er(8-hydroxyquinolate)(3) complex
  in Optical materials (Amst., Print)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Ottonelli, M; Izzo, GMM; Musso, GF; Dellepiane, G; Tubino, R (literal)

Pagina inizio

• 714 (literal)

Pagina fine

• 717 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 28 (literal)

Rivista

• Optical materials (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Univ Genoa, INFM, INSTM, Dipartimento Chim & Chim Ind, I-16146 Genoa, Italy; Univ Milan, Dipartimento Sci Mat, I-20126 Milan, Italy (literal)

Titolo

• Geometry relaxation in the excited states and its effects on the electronic properties of the Er(8-hydroxyquinolate)(3) complex (literal)

Abstract

• We present the results of a semiempirical study of the geometry relaxation effects on the electronic properties of the Er(8-hydroxyquinolinate)(3) complex, chosen as a model system in which energy transfer takes place. Geometry distortion in the excited states can affect several photophysical properties such as Stokes shifts, emission in target regions of the spectrum, lifetimes and others. In spite of this fact, in the majority of the theoretical works geometry rearrangements induced by photon absorption are simply ignored, due also to practical difficulties connected to the size of the complexes. In this paper we will use a simple semiempirical approach for the theoretical calculation of the excitation energies of the organic part of the complex, and we will show that the explicit consideration of the geometrical relaxation allows to identify (at least in this case) the most energetically favourable channel for the population of the triplet state. (c) 2005 Elsevier B.V. All rights reserved. (literal)

Prodotto di

• Fotonica ultrabreve dall'infrarosso al EUV: applicazioni a materiali e dispositivi per ICT, magnetismo, biomedicina e nanoscienze (MD.P03.008.001) (Modulo)

Autore CNR

• RICCARDO TUBINO (Persona)

Insieme di parole chiave

• Parole chiave di "Geometry relaxation in the excited states and its effects on the electronic properties of the Er(8-hydroxyquinolate)(3) complex" (Insieme di parole chiave)

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Autore CNR di

• RICCARDO TUBINO (Persona)

Prodotto

• Fotonica ultrabreve dall'infrarosso al EUV: applicazioni a materiali e dispositivi per ICT, magnetismo, biomedicina e nanoscienze (MD.P03.008.001) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Optical materials (Rivista)

Insieme di parole chiave di

• Parole chiave di "Geometry relaxation in the excited states and its effects on the electronic properties of the Er(8-hydroxyquinolate)(3) complex" (Insieme di parole chiave)