Electronic structure of platinum complex/Zn-porphyrinato assembled macrosystems, related precursors and model molecules, as probed by X-ray absorption spectroscopy NEXAFS: theory and experiment (Articolo in rivista)

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  • Electronic structure of platinum complex/Zn-porphyrinato assembled macrosystems, related precursors and model molecules, as probed by X-ray absorption spectroscopy NEXAFS: theory and experiment (Articolo in rivista) (literal)
Anno
  • 2004-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/j.chemphys.2003.09.036 (literal)
Alternative label
  • G. Polzonetti, V. Carravetta, G. Iucci, A. Ferri, G. Paolucci, A.Goldoni, P. Parent, C. Laffon, M. V. Russo (2004)
    Electronic structure of platinum complex/Zn-porphyrinato assembled macrosystems, related precursors and model molecules, as probed by X-ray absorption spectroscopy NEXAFS: theory and experiment
    in Chemical physics (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • G. Polzonetti, V. Carravetta, G. Iucci, A. Ferri, G. Paolucci, A.Goldoni, P. Parent, C. Laffon, M. V. Russo (literal)
Pagina inizio
  • 87 (literal)
Pagina fine
  • 100 (literal)
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  • 296 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 1 (literal)
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  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR-IPCF (literal)
Titolo
  • Electronic structure of platinum complex/Zn-porphyrinato assembled macrosystems, related precursors and model molecules, as probed by X-ray absorption spectroscopy NEXAFS: theory and experiment (literal)
Abstract
  • Macromolecular arrays containing Zn-diethynylporphyrin coordinated to platinum tethers were studied using near-edge X-ray-absorption fine-structure (NEXAFS) spectroscopy at the N K-edge. Porphin (Pf), 2,8,12,18-tetraethyl-5, 15-diethynyl-3,7,13,17-tetramethylporphyrin (PfNH) and 2,8,12,18-tetraethyl-5, 15-diethynyl-3,7,13,17-tetramethylporphyrinatozinc(II) (Zn-Pf2), have been taken as experimental models. The resonances assignment is supported by STEX (Static Exchange) calculations for the porphin and Zn-porphin (ZnPf1) molecules. By calculation, four pi* resonances occur for porphin and two for Zn-porphin. Experimentally we detect four resonances for porphin and PfNH, and two for the Zn-complexed ones. They can be assigned to core excitations to a couple of energy splitted pi* orbitals for each not equivalent N atom. Our calculations justify the observed low pi* intensity as due to an extended delocalization of the pi* orbitals. The NEXAFS investigations on platinum complex / Zn-porphyrinato assembled macrosystems [i.e. Pt-ZnPf1, Pt-ZnPf2 and Pt-ZnPf3] show the influence of the Pt theters bound to the porphyrin through the ethynyl moiety on the electronic structure of the tetrapyrrolic cycle. (literal)
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