ISIS Neutron and Muon Source Data Journal

Temperature Dependent Single Crystal Neutron Diffraction Study of the Hydrogens Dynamics in a Hydrido-Complex of Iridium.

Abstract: Transition metal hydrides are involved in many stoichiometric and catalytic organometallic reactions, such as hydrogenation. In these reactions the crucial step in the reaction path is the co-ordination of an intact H2 molecule to the metal centre and the ligand-dynamics of the resulting coordination compound. We propose to carry out an accurate single crystal neutron diffraction study on the octahedral complexes trans-[(P iPr3)]2IrI(H)2(H2) to investigate the temperature dependence of the ADP’s. Our aim is to obtain insight on the relationships between the large amplitude motion of the H atoms, the exchange mechanism between H and H2 and the rapid reversible absorption/desorption equilibrium.

Principal Investigator: Professor Alberto Albinati
Experimenter: Dr Silvia Capelli
Experimenter: Professor Carlo Castellano

DOI: 10.5286/ISIS.E.RB1720315

ISIS Experiment Number: RB1720315

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 Alberto Albinati et al; (2017): Temperature Dependent Single Crystal Neutron Diffraction Study of the Hydrogens Dynamics in a Hydrido-Complex of Iridium., STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720315

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