Dinuclear copper(I) complexes with hexaaza macrocyclic dinucleating ligands: Structure and dynamic properties

Miquel Costas, Raul Xifra, Antoni Llobet, Miquel Solà, Juvencio Robles, Teodor Parella, Helen Stoeckli-Evans, Markus Neuburger

    Research output: Contribution to journalArticleResearchpeer-review

    22 Citations (Scopus)

    Abstract

    The synthesis and structural and spectroscopic characterization of a family of copper(I) complexes, containing a dinucleating hexaaza macrocyclic ligand, of general formula [Cu2(L)(X)2]2+ (L = Me2p, Me2m, Me3p, or Me3m; X = MeCN, n-PrCN, CO, t-BuNC, or PPh3) is described. This family of complexes contains ligands that differ from one another in the number of methylenic units linking the tertiary amines and in the meta or para substitution of their aromatic rings. The structural characterization in the solid-state includes a single-crystal X-ray diffraction analysis of [Cu2(Me2p)(CO)2]2+ and of [Cu2(Me2m)(t-BuNC)2]2+. In solution, those complexes are structurally characterized through NMR spectroscopy that also allows us to put forward and establish their fluxional behavior. Theoretical calculations at the DFT level have also been performed. In order to further analyze the relative energy of the different potential isomers as well as to gain insight into their chemical properties. Finally, the influence of the hexaaza ligands over different structural aspects as well as on its potential chemical reactivity is discussed.
    Original languageEnglish
    Pages (from-to)4456-4468
    JournalInorganic Chemistry
    Volume42
    DOIs
    Publication statusPublished - 14 Jul 2003

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