ISIS Neutron and Muon Source Data Journal

INS studies of H3Mn3(CO)12

Abstract: Metal carbonyl hydrides have been known since 1931 and have been extensively studied ever since then. They are very widespread: most elements that form metal carbonyls also have carbonyl hydride derivatives. The gold standard for hydride location is neutron diffraction because the coherent cross section of 1H (and 2H) is comparable to those of the other elements (metal, C, O) present, so makes a significant contribution to the scattering. Unfortunately, such studies are rare: only a dozen or so metal carbonyl hydride structures have been determined by neutron diffraction. In principle, vibrational spectroscopy offers a straightforward method to observe hydrides. Unfortunately, in metal carbonyl hydrides the bands are often weak in the infrared and Raman spectra and may occur in regions where modes of coordinated carbonyls occur. It was realised early on that inelastic neutron scattering (INS) offered advantages for studying metal hydrides as in hydrogenous materials the scattering is dominated by modes involving displacement of hydrogen, the carbonyl related modes are generally very weak. The aim of this proposal is to characterise the bridging hydrides and their coupling in the important model system H3Mn3(CO)12 by INS of the H3, D3 and the mixed H/D complexes.

Local Contact: Professor Stewart Parker
Experimenter: Dr Dominic Fortes
Experimenter: Dr Sarah Youngs
Experimenter: Miss Abigail Liang

DOI: 10.5286/ISIS.E.RB2620017

ISIS Experiment Number: RB2620017

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 Stewart Parker et al; (2026): INS studies of H3Mn3(CO)12, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2620017

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