(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.
- Agostic interactions
- C-H activation
- Density functional calculations
- Isotopic labeling