In situ NMR spectroscopy in heterogeneous catalysis: Kinetic study of hydrocarbon conversion mechanisms

The potential of high-resolution solid-state NMR spectroscopy for kinetic and mechanistic studies of hydrocarbon conversion on solid acid catalysis between 20 and 300 degrees C is considered. The use of this technique is illustrated by the elucidation of the mechanisms of hydrogen exchange and C-13 label transfer in alkanes and olefins, n-butane isomerization on sulfated zirconia, and ethane aromatization on zinc-containing zeolite beta. The kinetic parameters determined in these studies provide a basis for quantum chemical calculations of possible hydrocarbon activation and conversion pathways and for evaluating the reliability and accuracy of these theoretical calculations.