DOI > 10.5291/ILL-DATA.5-22-746

This proposal is publicly available since 07/07/2021

Title

Determination of cation arrangement in solid-solution metal-organic frameworks

Abstract

Solid solution metal organic frameworks (MOFs) composed of different metal atoms are of interest because they might exhibit unique and or enhanced properties, compared to their monometallic counterparts. Introduction of a second metal cation during the MOF synthesis is a feasible approach to obtain such type of materials. In the current proposal, we aim at determine the exact atomic arrangement of the metal cations in a series of MOFs prepared with the combination of zinc and cobalt. Our current study has shown that it is possible to incorporate both elements at controllable ratios. Furthermore, depending on the resulting Zn/Co ratio, the crystal structure of the obtained MOF might suffer a structural reorganization that suggests the possibility of having atomic level control on the metal atoms disposition. The similar atomic number of zinc and cobalt precludes a satisfactory refinement of the atomic positions and occupancies with the use of exclusively X-ray diffraction. Thus, powder neutron diffraction will be crucial in the ultimate characterization of these materials.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

Felipe Gándara; Celia Castillo-Blas; GUTIERREZ PUEBLA Enrique; MONGE Angeles and PUENTE ORENCH Ines. (2016). Determination of cation arrangement in solid-solution metal-organic frameworks. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-22-746

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Metadata

Experiment Parameters

  • Environment temperature

    <573 K
  • Experiment energy

    1.59 angstrom

Sample Parameters

  • Formula

    • ZnCoPF1 - Zn4Co(C17O4H8F6)5
    • ZnCo(C17O4H8F6)2
    • ZnCoPF1 - Zn2Co(C17O4H8F6)3