H/D Exchange in a 3-D CoordinationPolymer of Single Molecule Magnets

DOI

It is proposed to characterize the new three-dimensional polymer of single molecule magnets, {K4[mu-Co(H2O)4]2[Co4(citr)4].8H2O}n, citr = citrate, C6H4O7, by single crystal neutron diffraction in order to elucidate the mechanism of H/D exchange that occurs when this crystalline substance is exposed to D2O vapor. The channels in this structure contain H2O and K+, arranged in such a way that removal or displacement of entire H2O molecules could not be achieved without significant disruption of the K+ cation structure and charge balance. Neutron diffraction analyses will reveal the exact sites of selective H/D exchange, if it occurs, and permit a conclusion to be drawn as to whether a proton-wire mechanism is operative as an alternative to full H2O/D2O substitution.

Identifier
DOI https://doi.org/10.5291/ILL-DATA.5-14-250
Metadata Access https://data.ill.fr/openaire/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=10.5291/ILL-DATA.5-14-250
Provenance
Creator Vazquez, Elena Forcen; Parada, Fernando Palacio; Mayoral, Isabel; Ruiz, Javier Campo; Falvello, Lawrence Rocco; Tomas, Milagros; Mason, Sax Anton; Capelli, Silvia
Publisher Institut Laue-Langevin
Publication Year 2014
Rights OpenAccess; info:eu-repo/semantics/openAccess
OpenAccess true
Representation
Resource Type Dataset
Size 229 GB
Version 1
Discipline Particles, Nuclei and Fields