http://www.cnr.it/ontology/cnr/individuo/prodotto/ID184514
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
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Laura Moroni; Cristina Gellini; Pier Remigio Salvi; Agnese Marcelli; Paolo Foggi (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- 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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