XAS of tetrakis(phenyl)- and tetrakis(pentafluorophenyl)-porphyrin: An experimental and theoretical study (Articolo in rivista)

Type
Label
  • XAS of tetrakis(phenyl)- and tetrakis(pentafluorophenyl)-porphyrin: An experimental and theoretical study (Articolo in rivista) (literal)
Anno
  • 2015-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1039/c4cp03958k (literal)
Alternative label
  • Nardi M.V.; Verucchi R.; Pasquali L.; Giglia A.; Fronzoni G.; Sambi M.; Mangione G.; Casarin M. (2015)
    XAS of tetrakis(phenyl)- and tetrakis(pentafluorophenyl)-porphyrin: An experimental and theoretical study
    in PCCP. Physical chemistry chemical physics (Print); RSC Publishing, Cambridge (Regno Unito)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Nardi M.V.; Verucchi R.; Pasquali L.; Giglia A.; Fronzoni G.; Sambi M.; Mangione G.; Casarin M. (literal)
Pagina inizio
  • 2001 (literal)
Pagina fine
  • 2011 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp03958k#!divAbstract (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 17 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 11 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 3 (literal)
Note
  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Institute for Physics, Supramolecular Systems Division SMS, Humboldt Universitat Zu Berlin, Brook-Taylor-Straße 6, Berlin, 12489, Germany; Istituto dei Materiali Per l'Elettronica Ed Il Magnetismo, IMEM-CNR, Sezione di Trento, Via alla Cascata 56/C, Povo, Trento, 38100, Italy; Dipartimento di Ingegneria Enzo Ferrari, Università degli Studi di Modena e Reggio Emilia, Strada Vignolese 905, Modena, 41125, Italy; TASC-INFM, MM building in Area Science Park, s.s.14 km 163.5, Basovizza (Trieste), 34012, Italy; Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Via L. Giogieri 1, Trieste, 34127, Italy; Dipartimento di Scienze Chimiche, Università degli Studi di Padova, Via Marzolo 1, Padova, 35131, Italy; Istituto Per l'Energetica e Le Interfasi, IENI-CNR, Via Marzolo 1, Padova, 35131, Italy (literal)
Titolo
  • XAS of tetrakis(phenyl)- and tetrakis(pentafluorophenyl)-porphyrin: An experimental and theoretical study (literal)
Abstract
  • The unoccupied electronic structure of tetrakis(phenyl)- and tetrakis(pentafluorophenyl)-porphyrin thick films deposited on SiO2/Si(100) native oxide surfaces has been thoroughly studied by combining the outcomes of near-edge X-ray absorption fine structure spectroscopy at the C, N, and F K-edges with those of scalar relativistic zeroth order regular approximation time-dependent density functional theory calculations carried out on isolated molecules. Both experimental and theoretical results concur to stress the electronic inertness of pristine porphyrin macrocycle based 1sC -> ?* and 1sN -> ?* transitions whose excitation energies are substantially unaffected upon fluorination. The obtained results complement those published by the same group about the occupied states of both molecules, thus providing the missing tile to get a thorough description of the halide decoration effects on the electronic structure of the tetrakis(phenyl)-porphyrin. (literal)
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