Excited States of Porphyrin Macrocycles (Articolo in rivista)

Type
Label
  • Excited States of Porphyrin Macrocycles (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp803249d (literal)
Alternative label
  • Laura Moroni; Cristina Gellini; Pier Remigio Salvi; Agnese Marcelli; Paolo Foggi (2008)
    Excited States of Porphyrin Macrocycles
    in The journal of physical chemistry. A
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Laura Moroni; Cristina Gellini; Pier Remigio Salvi; Agnese Marcelli; Paolo Foggi (literal)
Pagina inizio
  • 11044 (literal)
Pagina fine
  • 11051 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 112 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Dipartimento di Chimica, Universita` di Firenze; Laboratorio Europeo di Spettroscopie non Lineari (LENS), Universita` di Firenze; Dipartimento di Chimica, Universita` di Perugia; INO-CNR (literal)
Titolo
  • Excited States of Porphyrin Macrocycles (literal)
Abstract
  • S1 f Sn spectra of porphyrin, diprotonated porphyrin, and tetraoxaporphyrin dication have been measured in the energy range 2-3 eV above S1 at room temperature in solution by means of transient absorption spectroscopy exciting with femtosecond pulses. Highly excited ??* states not active in the conventional S0 f Sn spectrum have been observed. The experimental data are discussed on the basis of the time dependent density functional theory taking advantage of large scale calculations of configuration interaction between singly excited configurations (DF/SCI). The DF/SCI calculation on porphyrin has allowed to assign g states active in the S1 f Sn spectrum. Applying the same calculation method to tetraoxaporphyrin dication the S0 f Sn spectrum is reproduced relatively to the Q and B (Soret) bands as well as to the weaker Eu bands at higher energy. According to our calculation the S1 f Sn transient spectrum is related to states of g symmetry mainly arising from excitations between doubly degenerate ? and ?* orbitals such as 2eg f 4eg. In the case of diprotonated porphyrin it is shown that the complex of the macrocycle with two trifluoroacetate anions plays a significant role for absorption. Charge transfer excitations from the anions to the macrocycle contribute to absorption above the Soret band, justi (literal)
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