Structural, spectral, electric-field-induced second harmonic, and theoretical study of Ni(II), Cu(II), Zn(II) and VO(II) complexes with [N2O2] unsymmetrical Schiff bases of S-Methylisothiosemicarbazide derivatives (Articolo in rivista)

Type

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

Label

• Structural, spectral, electric-field-induced second harmonic, and theoretical study of Ni(II), Cu(II), Zn(II) and VO(II) complexes with [N2O2] unsymmetrical Schiff bases of S-Methylisothiosemicarbazide derivatives (Articolo in rivista) (literal)

Anno

• 2007-01-01T00:00:00+01:00 (literal)

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

• 10.1021/ic062035r (literal)

Alternative label

• Gradinaru, J., Forni, A., Druta, V., Tessore, F., Zecchin, S., Quici, S., Garbalau, N. (2007)
  Structural, spectral, electric-field-induced second harmonic, and theoretical study of Ni(II), Cu(II), Zn(II) and VO(II) complexes with [N2O2] unsymmetrical Schiff bases of S-Methylisothiosemicarbazide derivatives
  in Inorganic chemistry; American Chemical Society, Washington, DC (Stati Uniti d'America)
  (literal)

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

• Gradinaru, J., Forni, A., Druta, V., Tessore, F., Zecchin, S., Quici, S., Garbalau, N. (literal)

Pagina inizio

• 884 (literal)

Pagina fine

• 895 (literal)

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

• IF 2007: 4.123; SJR 2007: Inorganic Chemistry, Q1 (literal)

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

• http://pubs.acs.org/doi/pdf/10.1021/ic062035r (literal)

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

• 46 (literal)

Rivista

• Inorganic chemistry (Rivista)

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

• 12 (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

• [Gradinaru, J., Druta, V., Garbalau, N.] Institute of Chemistry of the Academy of Sciences of Moldova, str. Academiei, 3, MD-2028 Chisinau, R. Moldova; [Forni, A., Quici, S.] CNR-Istituto di Scienze e Tecnologie Molecolari, Via Golgi 19, I-20133 Milan, Italy; [Tessore, F.] Department of Inorganic Chemistry, UniVersità degli Studi di Milano and Centro di Eccellenza CIMAINA, Via Venezian 21, I-20133 Milano, Italy; [Zecchin, S.] IENI-CNR, Corso Stati Uniti 4, I-35127 Padova, Italy (literal)

Titolo

• Structural, spectral, electric-field-induced second harmonic, and theoretical study of Ni(II), Cu(II), Zn(II) and VO(II) complexes with [N2O2] unsymmetrical Schiff bases of S-Methylisothiosemicarbazide derivatives (literal)

Abstract

• New unsymmetrical [N2O2] tetradentate Schiff base complexes of Ni(II), Cu(II), Zn(II), and VO(II) were synthesized by template condensation of the tetradentate precursor 1-phenylbutane-1,3-dione mono-S-methylisothiosemicarbazone with o-hydroxybenzaldehyde or its 5-phenylazo derivative. They were characterized by elemental analysis, IR, UV-vis, electron spin resonance, and NMR spectroscopy, mass spectrometry, and magnetic measurements. The crystal structures of five of them have been determined by X-ray diffraction using, in some cases, synchrotron radiation. These compounds are characterized by a large thermal stability; their decomposition temperatures range from 240 up to 310 °C. Complexes with the phenylazo substituent were found to possess a large second-order nonlinear optical (NLO) response, as determined both by measurements of solution-phase direct current electricfield- induced second harmonic generation and by theoretical time-dependent density functional theory (TDDFT) calculations. The molecular hyperpolarizability was found to decrease in the order Zn(II) > Cu(II) > Ni(II) _ VO(II). The active role of the metal in determining the NLO properties of the complexes was shown through an analysis of their UV-vis spectra, which revealed the presence of metal-to-ligand (in closed-shell complexes) and ligandto- metal (in open-shell complexes) charge-transfer bands together with intra-ligand charge-transfer transitions. Assignment of the bands was based on the analysis of the TDDFT computed spectra. (literal)

Editore

• American Chemical Society (Editore)

Prodotto di

• Componenti molecolari, supramolecolari o macromolecolari con proprietà fotoniche ed optoelettroniche (PM.P04.004.001) (Modulo)
• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)
• Nanoingegneria chimica di sistemi assemblati mediante interazioni intermolecolari specifiche (PM.P07.002.002) (Modulo)
• Institute of Condensed Matter Chemistry and Energy Technologies (ICMATE) (Istituto)
• Nanostrutture funzionali su superfici elettrodiche (ET.P06.011.002) (Modulo)

Autore CNR

• SILVIO QUICI (Unità di personale interno)
• ALESSANDRA FORNI (Unità di personale interno)
• SANDRO ZECCHIN (Persona)

Insieme di parole chiave

• Keywords of "Structural, spectral, electric-field-induced second harmonic, and theoretical study of Ni(II), Cu(II), Zn(II) and VO(II) complexes with [N2O2] unsymmetrical Schiff bases of S-Methylisothiosemicarbazide derivatives" (Insieme di parole chiave)

Incoming links:

Prodotto

• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)
• Institute of Condensed Matter Chemistry and Energy Technologies (ICMATE) (Istituto)
• Nanostrutture funzionali su superfici elettrodiche (ET.P06.011.002) (Modulo)
• Componenti molecolari, supramolecolari o macromolecolari con proprietà fotoniche ed optoelettroniche (PM.P04.004.001) (Modulo)
• Nanoingegneria chimica di sistemi assemblati mediante interazioni intermolecolari specifiche (PM.P07.002.002) (Modulo)

Autore CNR di

• SILVIO QUICI (Unità di personale interno)
• SANDRO ZECCHIN (Persona)
• ALESSANDRA FORNI (Unità di personale interno)

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

• Inorganic chemistry (Rivista)

Editore di

• American Chemical Society (Editore)

Insieme di parole chiave di

• Keywords of "Structural, spectral, electric-field-induced second harmonic, and theoretical study of Ni(II), Cu(II), Zn(II) and VO(II) complexes with [N2O2] unsymmetrical Schiff bases of S-Methylisothiosemicarbazide derivatives" (Insieme di parole chiave)