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

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.87812674
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/87812674
Provenance
Creator Dr Leonardo Bernasconi; Dr Svemir Rudic
Publisher ISIS Neutron and Muon Source
Publication Year 2020
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2017-10-05T08:00:00Z
Temporal Coverage End 2017-10-08T08:00:00Z