ISIS Neutron and Muon Source Data Journal

Characterising -Bond Interactions in Catalytically Active Ruthenium Complexes

Abstract: An unusual agostic stabilised ruthenium boryl complex [Ru(IPr)2(CO)(Bcat)]+ (IPr = bis(1,3-(2,6-diisopropylphenyl)imidazol-2-ylidene; Bcat = catecholborane) has been characterised by X-ray crystallography. Neutron data will afford accurate measurement of the Ru-H-C distance and, as such, provide structural information that will facilitate understanding of the of how structure relates to the catalytic alkene hydroboration activity of this complex. In Ru(IMe4)2(PPh3)(HSiPh3)H2, an alternative form of sigma bonding that involves 2-Ph3SiH coordination has been evidenced by NMR spectroscopy and X-ray crystallography. Neutron diffraction studies on this complex will afford definitive data on Ru-H and Si-H positions, information vital to understanding the role of this species as an intermediate in the catalytic hydrodefluorination reactions. We request 14-15 days

Principal Investigator: Professor Michael Whittlesey
Experimenter: Dr Hazel Sparkes
Experimenter: Dr Matthias Gutmann
Experimenter: Dr Mary Mahon

DOI: 10.5286/ISIS.E.RB1520455

ISIS Experiment Number: RB1520455

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:
Professor Michael Whittlesey et al; (2016): Characterising -Bond Interactions in Catalytically Active Ruthenium Complexes, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1520455

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