Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr 6 O 8 Metal-Organic Framework Nodes.
Ignacio Romero-MuñizCarlos Romero-MuñizIsabel Del Castillo-VelillaCarlo MariniSofía CaleroFelix ZamoraAna Eva Platero-PratsPublished in: ACS applied materials & interfaces (2022)
The metal-organic framework MOF-808 contains Zr 6 O 8 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 Zr 6 O 8 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.
Keyphrases
- metal organic framework
- sentinel lymph node
- high density
- high resolution
- pet imaging
- lymph node
- density functional theory
- single molecule
- molecular dynamics simulations
- early stage
- drug discovery
- molecular dynamics
- quantum dots
- mass spectrometry
- gold nanoparticles
- squamous cell carcinoma
- electron microscopy
- magnetic resonance imaging
- climate change
- raman spectroscopy