DataVXACS Applied Materials & InterfacesPaper
journal article·2022-06-15Open access

Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes

Ignacio Romero-Muñiz, Carlos Romero-Muñiz, Isabel del Castillo-Velilla, Carlo Marini, Sofía Calero, Félix Zamora, Ana E. Platero-Prats

ACS Applied Materials & Interfaces· Volume 14· Issue 23
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Source abstract

Abstract

The metal-organic framework MOF-808 contains Zr6O8 nodes with a high density of vacancy sites, which can incorporate carboxylate-containing functional groups to tune chemical reactivity. Although the postsynthetic methods to modify the chemistry of the Zr6O8 nodes in MOFs are well known, tackling these alterations from a structural perspective is still a challenge. We have combined infrared spectroscopy experiments and first-principles calculations to identify the presence of node vacancies accessible for chemical modifications within the MOF-808. We demonstrate the potential of our approach to assess the decoration of MOF-808 nodes with different catechol-benzoate ligands. Furthermore, we have applied advanced synchrotron characterization tools, such as pair distribution function analyses and X-ray absorption spectroscopy, to resolve the atomic structure of single metal sites incorporated into the catechol groups postsynthetically. Finally, we demonstrate the catalytic activity of these MOF-808 materials decorated with single copper sites for 1,3-dipolar cycloadditions.
Source: europepmc · Quality: candidate unverified · Source record ↗

Research context

Catalysis & surfaces

OpenAlex topics: Metal-Organic Frameworks: Synthesis and Applications · Zeolite Catalysis and Synthesis · Covalent Organic Framework Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Departamento de Química Inorgánica, Facultad de Ciencias, Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain

Departamento de Física Aplicada I, Universidad de Sevilla, E-41012 Seville, Spain

CLAESS beamline, ALBA Synchrotron, Cerdanyola del Vallès 08290, Spain

Materials Simulation & Modelling, Department of Applied Physics, Eindhoven University of Technology, 5600MB Eindhoven, The Netherlands

Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain

Instituto de Investigación Avanzada en Ciencias Químicas de la UAM, Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain

Funding

Ministerio de Ciencia e Innovaci?n · Deutsches Elektronen-Synchrotron · Diamond Light Source · Fundaci?n ONCE · ALBA Synchrotron

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