Discriminating adsorption sites in the metal-organic framework CPO27-Fe(II)/Fe(III)

DOI

We propose to measure inelastic incoherent neustron scattering spectra of p-H2 adsorbed in situ in the metal-organic frameworks CPO-27-Fe(II) and CPO-27-Fe(III). These are two isostructural microporous materials the first ones of which contains strong adsorption sites - Fe(II). Upon exposure to oxygen the Fe(II) is easily oxidized to Fe(III) with the site completely saturated by oxygen and thus we are left only with the remaining of the adsorption sites + a new one which is practically of the same nature as the rest. Thus, we can experimentally identify the rotational spectral features of pH2 at the metal site, and also measure pH2 mean translational kinetic energies in the presence and abscence of the metal site which is expected to be very informative and helpful in optimising our PIMC calculations in these series of compounds.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24088156
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24088156
Provenance
Creator Professor Alberto Albinati; Dr Peter Georgiev; Professor Pascal Dietzel
Publisher ISIS Neutron and Muon Source
Publication Year 2014
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 Photon- and Neutron Geosciences
Temporal Coverage Begin 2011-10-17T04:57:44Z
Temporal Coverage End 2011-10-23T01:11:45Z