Generalising the link between catalytic activity and low-energy normal modes of vibrations

DOI

Our recent theoretical and experimental characterisations of novel Pd N-heterocyclic carbene catalysts showed a clear relation between low-energy normal mode energies and catalytic activity. Here we propose to generalise these findings by characterising a new class of Ni and Pd catalysts, differing only in the identity of the central transition metal, yet display a large difference in catalytic activity. The experimental results will be compared with DFT calculations undertaken on these systems. Low-energy normal modes will be characterised for both the solid catalyst and an amorphous solvent-catalyst matrix, for two differing ligand classes. The experiment will corroborate that the detailed characterisation of low-energy normal modes is requisite to quantitative characterisation of the differences in activity for homogeneous catalyst systems.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24079803
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24079803
Provenance
Creator Dr Florian Kargl; Dr Gregory Chasse; Dr Paddy Murphy; Mr Elliot Bennett; Professor Yuan He Huang; Professor De-Cai Fang
Publisher ISIS Neutron and Muon Source
Publication Year 2013
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2010-05-14T09:55:18Z
Temporal Coverage End 2010-05-19T07:37:40Z