Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations (Articolo in rivista)

Type

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

Label

• Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations (Articolo in rivista) (literal)

Anno

• 2007-01-01T00:00:00+01:00 (literal)

Alternative label

• Crotti C., Farnetti E., Filipuzzi S., Stener M., Zangrando E., Moras, P. (2007)
  Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations
  in Dalton transactions (2003. Print)
  (literal)

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

• Crotti C., Farnetti E., Filipuzzi S., Stener M., Zangrando E., Moras, P. (literal)

Pagina inizio

• 133 (literal)

Rivista

• Dalton transactions (Rivista)

Note

• ISI Web of Science (WOS) (literal)

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

• ISM - CNR Consorzio Interuniv Nazl Sci & Tecnol Mat, Florence, Italy Univ Trieste, Dipartimento Sci Chim, Trieste, Italy (literal)

Titolo

• Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations (literal)

Abstract

• Synchrotron radiation XPS measurements of Ir 4f, N 1s and I 4d core levels for the compounds Ir(cod)(N-N)X (cod = 1,5-cyclooctadiene; N-N = 1,10-phenanthroline and substituted derivatives; X = Cl, I) are reported. The compounds Ir(cod)(3,4,7,8-Me(4)phen)X (3,4,7,8-Me(4)phen = 3,4,7,8-tetramethyl-1,10-phenanthroline) were structurally characterized by single crystal X-ray analyses. The comparison among the binding energies shows differences that are interpreted in terms of electron density variations due to the change of the phenanthroline substituents. Such analysis provides a quantitative evaluation of the ligand donor properties. The trend in the measured binding energies is confirmed by the results obtained by DFT Delta SCF calculations, which include final state relaxation effects, while the specific role of initial state effects has been assessed in terms of the Kohn-Sham eigenvalues analysis. (literal)

Prodotto di

• Proprietà magnetiche, elettroniche e funzionali di aggregati di dimensione atomica (MD.P04.004.001) (Modulo)
• Institute of structure of matter (ISM) (Istituto)

Autore CNR

• CORRADO CROTTI (Unità di personale interno)
• PAOLO MORAS (Unità di personale esterno)

Incoming links:

Autore CNR di

• CORRADO CROTTI (Unità di personale interno)
• PAOLO MORAS (Unità di personale esterno)

Prodotto

• Institute of structure of matter (ISM) (Istituto)
• Proprietà magnetiche, elettroniche e funzionali di aggregati di dimensione atomica (MD.P04.004.001) (Modulo)

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

• Dalton transactions (Rivista)