Solvent Effects on the Three-Photon Absorption of a Symmetric Charge-Transfer Molecule (Articolo in rivista)

Type

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

Label

• Solvent Effects on the Three-Photon Absorption of a Symmetric Charge-Transfer Molecule (Articolo in rivista) (literal)

Anno

• 2008-01-01T00:00:00+01:00 (literal)

Alternative label

• Lin, N.; Ferrighi, L.; Zhao, X.; Ruud, K.; Rizzo, A.; Luo, Y. (2008)
  Solvent Effects on the Three-Photon Absorption of a Symmetric Charge-Transfer Molecule
  
  (literal)

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

• Lin, N.; Ferrighi, L.; Zhao, X.; Ruud, K.; Rizzo, A.; Luo, Y. (literal)

Pagina inizio

• 4703 (literal)

Pagina fine

• 4710 (literal)

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

• 112 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• N. L., Y. L.: Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden, K. R.: Centre for Theoretical and Computational Chemistry, Department of Chemistry, UniVersity of Tromsoe, N-9037 Tromsoe, Norway A. R.: Istituto per i Processi Chimico-Fisici del Consiglio Nazionale delle Ricerche (IPCF-CNR), Area della Ricerca di Pisa, Via G. Moruzzi 1, I-56124 Pisa, Italy X. Z.: Institute of Crystal Materials, Shandong UniVersity, 250100 Jinan, Shandong, People’s Republic of China (literal)

Titolo

• Solvent Effects on the Three-Photon Absorption of a Symmetric Charge-Transfer Molecule (literal)

Abstract

• We present a theoretical study of the solvent-induced three-photon absorption cross section of a highly conjugated fluorene derivative, performed using density functional (DFT) cubic response theory in combination with the polarizable continuum model. The applicability of the often used two-state model is examined by comparison against the full DFT response theory results. It is found that the simplified model performs poorly for the three-photon absorption properties of our symmetric charge-transfer molecule. The dielectric medium enhances the three-photon absorption cross section remarkably. The effects of solvent polarity and geometrical distortions have been carefully examined. A detailed comparison with experiment is presented. (literal)

Prodotto di

• Modellizzazione di proprietà e reattività di molecole biologiche e biomimetiche (MD.P01.013.001) (Modulo)
• Institute for chemical and physical processes (IPCF) (Istituto)

Autore CNR

• ANTONIO RIZZO (Unità di personale interno)

Incoming links:

Prodotto

• Institute for chemical and physical processes (IPCF) (Istituto)
• Modellizzazione di proprietà e reattività di molecole biologiche e biomimetiche (MD.P01.013.001) (Modulo)

Autore CNR di

• ANTONIO RIZZO (Unità di personale interno)