A variable temperature NMR analysis and resonance assignment of the Grubbs second generation catalyst. (15th September 2018) - Swart, Marthinus Rudi
Graphical abstract: 1 H and 13 C NMR resonance assignments in the spectra of the Grubbs second generation catalyst [RuCl2 (PCy3 )(H2 IMes)CHPh] could be assigned unambiguously by making use of various 2D NMR techniques at different temperatures. These NMR experiments also undoubtedly confirmed restricted confirmations and π-stacking arrangement within the catalyst. Abstract: The Grubbs second generation catalyst [RuCl2 (PCy3 )(H2 IMes)CHPh] was analysed in solution in order to identify and assign all of the 1 H and 13 C NMR resonances. This was achieved through utilizing various 2D NMR techniques and by acquiring spectra at a range of different temperatures (−40 to 60 °C). These assignments will aid researchers in future NMR studies of catalytic systems that employ the Grubbs catalyst by eliminating the resonances belonging to the catalyst and thus enabling the identification of any intermediates and/or new catalytic species. Restricted conformations and π-stacking arrangement within the catalyst was also confirmed during this study.