Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands

Xavi Ribas, Raül Xifra, Teodor Parella, Albert Poater, Miquel Solà, Antoni Llobet

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37 Citations (Scopus)


(Chemical Equation Presented) The first reversible and regiospecific H/D exchange promoted by CuI proceeds in weakly coordinating deuterated "acidic" solvents, such as [D6]acetone or [D 4]methanol (see scheme). The kinetics of the reaction have been studied in both directions (H/D and D/H exchange) by 1H and 2H NMR spectroscopy, and a molecular mechanism is proposed that is in accordance with all experimental and theoretical data. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
Original languageEnglish
Pages (from-to)2941-2944
JournalAngewandte Chemie - International Edition
Issue number18
Publication statusPublished - 28 Apr 2006


  • Agostic interactions
  • C-H activation
  • Copper
  • Density functional calculations
  • Isotopic labeling


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