ISIS Neutron and Muon Source Data Journal

The behaviour of iron carbonyl, Fe(CO)5, at high pressure

Abstract: Iron pentacarbonyl is an iconic molecule with widespread applications in organometallic chemistry. However, its behaviour at non-ambient conditions is poorly known. In 2020 we carried out a low-temperature study using HRPD, from which we identified a new polymorph that becomes stable below 105 K. At high pressure, there is only a single study carried out in a diamond anvil cell using Raman spectroscopy [Ryu et al., Sci. Rep., 5, 15139: 2015], which found two high-P polymorphs, phases II and III, followed by decomposition at ~ 15 GPa. We aim to test the hypothesis that our low-T structure corresponds with the first high-pressure polymorph (phase II, stable above 1 GPa at room temperature), to determine the structure of the unknown phase III (stable above 5 GPa at room-T), and to measure the equations of state of phases I, II and III.

Experimenter: Dr Dominic Fortes
Local Contact: Dr Craig Bull
Experimenter: Professor Stewart Parker

DOI: 10.5286/ISIS.E.RB2310006

ISIS Experiment Number: RB2310006

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 Dominic Fortes et al; (2023): The behaviour of iron carbonyl, Fe(CO)5, at high pressure, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310006

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