An integrated experimental and theoretical investigation on Cu(hfa)2?TMEDA: structure, bonding and reactivity (Articolo in rivista)

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  • An integrated experimental and theoretical investigation on Cu(hfa)2?TMEDA: structure, bonding and reactivity (Articolo in rivista) (literal)
Anno
  • 2009-01-01T00:00:00+01:00 (literal)
Alternative label
  • Bandoli, G.; Barreca, D.; Gasparotto, A.; Seraglia, R.; Tondello, E.; Devi, A.; Fischer, R.A.; Winter, M.; Fois, E.; Gamba, A.; Tabacchi, G. (2009)
    An integrated experimental and theoretical investigation on Cu(hfa)2?TMEDA: structure, bonding and reactivity
    in PCCP. Physical chemistry chemical physics (Print)
    (literal)
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  • Bandoli, G.; Barreca, D.; Gasparotto, A.; Seraglia, R.; Tondello, E.; Devi, A.; Fischer, R.A.; Winter, M.; Fois, E.; Gamba, A.; Tabacchi, G. (literal)
Pagina inizio
  • 5998 (literal)
Pagina fine
  • 6007 (literal)
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  • pubblicato come Hot Article. (literal)
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  • 11 (literal)
Rivista
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  • DOI: 10.1039/b904145a (literal)
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  • 10 (literal)
Note
  • ISI Web of Science (WOS) (literal)
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  • 1: Department of Pharmaceutical Sciences, Padova University, 35131 Padova, Italy 2,4: ISTM-CNR and INSTM, Department of Chemistry, Padova University, 35131 Padova, Italy 3,5: Department of Chemistry, Padova University and INSTM, 35131 Padova, Italy 6,7,8: Inorganic Materials Chemistry Group, Lehrstuhl fu¨r Anorganische Chemie II, Ruhr-University Bochum, D-44780 Bochum, Germany 9,10,11: Department of Chemical and Environmental Sciences,Insubria University and INSTM, 22100 Como, Italy. (literal)
Titolo
  • An integrated experimental and theoretical investigation on Cu(hfa)2?TMEDA: structure, bonding and reactivity (literal)
Abstract
  • The physico-chemical properties of the beta-diketonate diamine Cu(II) compound with hfa (1,1,1,5,5,5-hexafluoro-2-4-pentanedionate) and TMEDA (N,N,N',N' tetramethylethylenediamine), Cu(hfa)2TMEDA, have been thoroughly investigated via an integrated multi-technique experimental-computational approach. In the newly found orthorhombic polymorph, as revealed by low temperature single-crystal X-ray studies, the complex is present as a monomer with a distorted octahedral geometry at the Cu(II) centre. The compound sublimates, without premature side decompositions, at 343 K and 10(-3) Torr. The structural, vibrational, electronic and thermal behavior of the neutral Cu(hfa)2TMEDA complex has been investigated along with its fragmentation pathways, initiated by the release of an anionic hfa ligand with formation of a positive Cu(hfa)TMEDA(+) ion. Joint experimental and theoretical analyses led to the rationalization of the first fragmentation steps in terms of the Cu(II)-ligands bonding properties and Jahn-Teller distortion. The present study suggests applications of Cu(hfa)2TMEDA as a precursor for copper and copper oxide materials by Chemical Vapor Deposition. (literal)
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