A copper(II)-copper(II) bond in a dimeric molecule of a mineral (Abstract/Poster in atti di convegno)

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  • A copper(II)-copper(II) bond in a dimeric molecule of a mineral (Abstract/Poster in atti di convegno) (literal)
Anno
  • 2009-01-01T00:00:00+01:00 (literal)
Alternative label
  • Bertolotti, F.; Forni, A.; Gervasio, G.; Marabello, D. (2009)
    A copper(II)-copper(II) bond in a dimeric molecule of a mineral
    in XXV European Crystallography Meeting, Istanbul, 16-21 agosto 2009
    (literal)
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  • Bertolotti, F.; Forni, A.; Gervasio, G.; Marabello, D. (literal)
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  • S75 (literal)
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  • S75 (literal)
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  • IF 2009: 49.926 SJR 2009: Structural Biology, Q1 (literal)
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  • http://journals.iucr.org/a/issues/2009/a1/00/issconts.html (literal)
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  • 65 (literal)
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  • 1 (literal)
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  • Copper(II) acetate monohydrated, mineral hoganite, shows a dimeric structure with four acetate residuals bridging a metal-metal moiety. The antiferromagnetism of the compound has been attributed to spin pairing obtained either through a direct Cu(II)-Cu(II) bond or through the carboxylate ligands. A low temperature (100K) X-ray data collection and a subsequent multipolar analysis has supplied maps of electron densities. The topological study of the maps  revealed the presence of a direct metal-metal bond, which has been confirmed by theoretical DFT calculations on the isolated molecule. Experimental and theoretical topological parameters will be reported. (literal)
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  • Abstract (literal)
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  • Dipartimento di Chimica and Centro interdipartimentale di Cristallografia Diffrattometrica (CrisDi), University of Turin, 10125 Turin, Italy; CNR-ISTM, Institute of Molecular Sciences and Technologies, University of Milan, Via Golgi 19, I-20133 Milan, Italy (literal)
Titolo
  • A copper(II)-copper(II) bond in a dimeric molecule of a mineral (literal)
Abstract
  • Copper(II) acetate monohydrated, mineral hoganite, shows a dimeric structure with four acetate residuals bridging a metal-metal moiety. The ferromagnetism of the compound has been attributed to spin pairing obtained either through a direct Cu(II)-Cu(II) bond or through the carboxylate ligands. A low temperature (100K) X-ray data collection and a subsequent multipolar analysis has supplied maps of electron densities. The topological study of the maps revealed the presence of a direct metal-metal bond, which has been confirmed by theoretical DFT calculations on the isolated molecule. Experimental and theoretical topological parameters will be reported. (literal)
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