ISIS Neutron and Muon Source Data Journal

An abiotic analogue of methane monooxygenase for the catalytic oxidation of hydrocarbons in homogeneous conditions - Continuation

Abstract: We request 3 days Direct Access on TOSCA to complete the INS measurements of our previous experiment 1610254. We want to characterise the vibrational signatures of a new Fe(IV)oxo species generated by direct reduction of atmospheric di-oxygen in Fe(II)/EDTA/D2O solutions. In the preliminary experiment 1610254 (3 days, see experimental report), we have addressed various technical issues concerning the optimal conditions for Fe(IV)oxo generation in deuterated water solutions and we have shown that INS spectra exhibit a characteristic Fe=O stretching signal at ca. 800-850 cm-1. The objective of this experiment is to confirm the formation of the Fe(IV)oxo species predicted on the basis of DFT/AIMD simulations and to remove ambiguities in the interpretation of the vibrational profile of the solution deriving from water impurities.

Principal Investigator: Dr Leonardo Bernasconi
Experimenter: Dr Svemir Rudic

DOI: 10.5286/ISIS.E.RB1720177

ISIS Experiment Number: RB1720177

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 Leonardo Bernasconi et al; (2017): An abiotic analogue of methane monooxygenase for the catalytic oxidation of hydrocarbons in homogeneous conditions - Continuation, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720177

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