Determination of the bondlength of the surface hydride in PdH

DOI

Supported palladium particles are used as catalysts in many processes. In the course of investigation of Pd-based catalysts used for the selective hydrogenation of nitro-arenes to amino-arenes, in addition to the presence of the modes of the (expected) hydrogen-in-metal system β-PdH, we observed an additional mode at ~2100 cm-1. We assign the mode to hydrogen chemisorbed in the on-top position i.e. directly above a surface Pd atom. This site has never before been observed on palladium and periodic-DFT calculations support our assignment. palladium hydrogenation catalysts have been extensively studied for more than 50 years, so the detection of a new catalytic site is very significant. In view of the potential importance of the on-top Pd¿H we propose to use the method developed previously to make a structural determination of the on-top site of hydrogen on palladium.

Identifier
DOI https://doi.org/10.5286/ISIS.E.47623403
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/47623403
Provenance
Creator Dr Ian Silverwood; Dr Peter Albers; Professor Stewart Parker; Dr Silvia Imberti; Dr Sam Callear
Publisher ISIS Neutron and Muon Source
Publication Year 2017
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 Chemistry; Natural Sciences; Physics
Temporal Coverage Begin 2014-02-13T00:00:00Z
Temporal Coverage End 2014-04-04T07:47:17Z