A well-defined silica-supported tungsten oxo alkyl species displays high and sustained activity in propene metathesis, outpacing the parent imido derivative.
1 August 2013 in Applied Catalysis B: Environment and Energy
We report on the study of a set of rhenium oxide reference compounds (NH4ReO4, NaReO4, ReO3, ReO2, and Re2O7) using x-ray-absorption near-edge structure. The parallel use of Re L1 and L3 absorption edges permits a concomitant understanding of both the oxidation state and the local symmetry for these compounds. Experiments are compared with ab initio simulations. A good agreement is reached in most cases. The choice of the cluster size and the calculation method (full potential or not), which are mandatory ingredients allowing a satisfactory reproduction of the recorded spectra, is discussed in detail. In the meantime, these parameters give important pieces of information on the studied materials.
20 October 2010 in The Journal of Physical Chemistry C