ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Principal Investigator: Dr Tom Autrey
Experimenter: Dr Kostiantyn Chernichenko
Experimenter: Dr Greg Schenter
Experimenter: Dr Anibal Ramirez-Cuesta
Experimenter: Dr Martin Jones
Experimenter: Professor Timo Repo

DOI: 10.5286/ISIS.E.RB1510079

ISIS Experiment Number: RB1510079

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Tom Autrey et al; (2015): Investigating reversible heterolytic H2 activation in Frustrated Lewis Acid Bases by Neutron Scattering, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510079

Data is released under the CC-BY-4.0 license.