\"Stapled\" Bis(phthalocyaninato)niobium(IV), Pc2Nb: X-ray Crystal Structure, Chemical and Electrochemical Behavior, and Theoretical Studies. Perspectives for the Use of Pc2Nb (Thin Films) as an \"Optically Passive Electrode\" in Electrochromic Devices (Articolo in rivista)

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  • \"Stapled\" Bis(phthalocyaninato)niobium(IV), Pc2Nb: X-ray Crystal Structure, Chemical and Electrochemical Behavior, and Theoretical Studies. Perspectives for the Use of Pc2Nb (Thin Films) as an \"Optically Passive Electrode\" in Electrochromic Devices (Articolo in rivista) (literal)
Anno
  • 2003-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/ic020098d (literal)
Alternative label
  • Elvira M. Bauer, Maria Pia Donzello, Claudio Ercolani, Enrico Masetti, Stefania Panero, Giampaolo Ricciardi, Angela Rosa, Angiola Chiesi-Villa, and Corrado Rizzoli (2003)
    "Stapled" Bis(phthalocyaninato)niobium(IV), Pc2Nb: X-ray Crystal Structure, Chemical and Electrochemical Behavior, and Theoretical Studies. Perspectives for the Use of Pc2Nb (Thin Films) as an "Optically Passive Electrode" in Electrochromic Devices
    in Inorganic chemistry (Online); ACS, American chemical society, Washington, DC (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Elvira M. Bauer, Maria Pia Donzello, Claudio Ercolani, Enrico Masetti, Stefania Panero, Giampaolo Ricciardi, Angela Rosa, Angiola Chiesi-Villa, and Corrado Rizzoli (literal)
Pagina inizio
  • 283 (literal)
Pagina fine
  • 293 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 42 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 2 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Dipartimento di Chimica, UniVersita` degli Studi di Roma \"La Sapienza\", p.le A. Moro 5, I-00185 Roma, Italy, Laboratorio DispositiVi Ottici, ENEA, Via Anguillarese 301, I-00060 Roma, Italy, Dipartimento di Chimica, UniVersita` della Basilicata, Via N. Sauro 85, I-85100 Potenza, Italy, and Dipartimento di Chimica Generale ed Inorganica, UniVersita` di Parma, Viale delle Scienze, I-43100 Parma, Italy (literal)
Titolo
  • \"Stapled\" Bis(phthalocyaninato)niobium(IV), Pc2Nb: X-ray Crystal Structure, Chemical and Electrochemical Behavior, and Theoretical Studies. Perspectives for the Use of Pc2Nb (Thin Films) as an \"Optically Passive Electrode\" in Electrochromic Devices (literal)
Abstract
  • Recrystallization of the previously reported monosolvated bis(phthalocyaninato)niobium(IV), [Pc2Nb]âClNP (ClNP ) 1-chloronaphthalene), has allowed isolation of a single crystal of a new solvated form, i.e. [Pc2Nb]â 3.5ClNP, whose structure has been elucidated by X-ray work: space group P21/n (No. 14); a ) 16.765(3), b ) 23.800(4), c ) 19.421(4) Å; R ) ç ) 90°, â ) 92.51(2)°; Z ) 4. The sandwiched material is a \"stapled\" molecule, characterized by the presence of two intramolecular interligand C-C ó bonds and highly strained phthalocyanine units, as formerly observed by crystallographic work for its Ti(IV) analogue, [Pc2Ti], and the +1 corresponding fragment, [Pc2Nb]+, present in the species [Pc2Nb](I3)(I2)0.5â3.5ClNP. [Pc2Nb] appears to be reluctant to undergo further oxidation above the +1 oxidation state. Detailed theoretical studies by DFT and TDDFT methods have been developed on [Pc2Nb] and [Pc2Nb]+, also extended for comparison to the Ti(IV) complex [Pc2Ti], and an adequate picture of the ground-state electronic structure of these species has been achieved. Moreover, the excitation energies and oscillator strengths calculated for the closed-shell systems, [Pc2Ti] and [Pc2Nb]+, provide a satisfactory interpretation of their characteristic visible optical spectra and help to rationalize the similar features observed in the visible spectrum of the open-shell \"stapled\" complex, [Pc2Nb]. Thin solid films (100-250 nm) of [Pc2Nb] deposited on ITO (indium-doped tin oxide) show a reversible redox process in neutral or acidic aqueous electrolytes. The electrochemical and electrochromic properties of the sandwiched complex, combined with impedance and UV/visible spectral measurements, are presented and discussed. The achieved electrochemical information, while substantially in keeping with the observed chemical redox behavior and theoretical predictions, qualifies [Pc2Nb] as an \"optically passive\" electrode and a promising material for its use in electrochromic devices. (literal)
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