Investigating reversible heterolytic H2 activation in Frustrated Lewis Acid Bases by Neutron Scattering

DOI

Remarkably, hydrogen may be activated for chemical reaction at room temperature using a new family of frustrated Lewis acid-base pair (FLB) materials. In these complexes hydrogen is 'pinned' between the electron donating nitrogen and electron accepting boron atoms of the complex in a precursor complex before heterolytic cleavage of the hydrogen results in the formation of B-H and N-H hydrides. We have been using a combination of experiment and theory to understand how H2 is activated in FLB¿s. The stability of the hydrogen precursor complex is proportional to the Lewis acidity of the borane unit. Here we wish to characterize a FLB by inelastic neutron spectroscopy using the TOSCA spectrometer to follow the changes in the free-hydrogen rotational line as hydrogen becomes co-ordinated to the active site of the FLB.

Identifier
DOI https://doi.org/10.5286/ISIS.E.62116980
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/62116980
Provenance
Creator Dr Kostiantyn Chernichenko; Dr Martin Jones; Dr Tom Autrey; Dr Greg Schenter; Dr Anibal Ramirez-Cuesta; Professor Timo Repo; Dr Svemir Rudic
Publisher ISIS Neutron and Muon Source
Publication Year 2018
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
Temporal Coverage Begin 2015-06-25T08:00:00Z
Temporal Coverage End 2015-06-29T08:00:00Z