ISIS Neutron and Muon Source Data Journal

C-H and H-H Binding in Coordinatively Unsaturated Ruthenium Carbene Complexes

Abstract: Removal of the chloride ligand from the neutral N-heterocyclic carbene complex Ru(IPr)2(CO)HCl (IPr = bis(1,3-(2,6-diisopropylphenyl)imidazol-2-ylidene) by NaBArF4 affords the salt [Ru(IPr)2(CO)H]BArF4 (1), which has been characterised by X-ray crystallography as being stabilised by two agostic Ru...H-C interactions. Addition of an atmosphere of H2 traps this species to afford a spectroscopically characterised dihydrogen hydride complex, [Ru(IPr)2(CO)(eta2-H2)H]BArF4 (2). Neutron data will afford accurate measurement of both Ru...H-C and Ru(eta2-H2)H distances affording structural information crucial to understanding both the stoichiometric and potential catalytic reactivity (e. g. C=C/C=O hydrogenation) of these types of species.

Experimenter: Dr Mary Mahon
Experimenter: Professor Michael Whittlesey
Experimenter: Dr Hazel Sparkes

DOI: 10.5286/ISIS.E.RB1510178

ISIS Experiment Number: RB1510178

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

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

For Example:
Dr Mary Mahon et al; (2015): C-H and H-H Binding in Coordinatively Unsaturated Ruthenium Carbene Complexes, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510178

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