A5006363113- Metal-Organic Frameworks: Synthesis and Applications
- X-ray Diffraction in Crystallography
- Covalent Organic Framework Applications
- Advanced Photocatalysis Techniques
- Catalytic Processes in Materials Science
- Nanocluster Synthesis and Applications
- Magnetism in coordination complexes
- Crystallization and Solubility Studies
- Advanced Nanomaterials in Catalysis
- Machine Learning in Materials Science
- Supramolecular Self-Assembly in Materials
- Advanced Memory and Neural Computing
- Zeolite Catalysis and Synthesis
- Membrane Separation and Gas Transport
- Crystallography and molecular interactions
- Chemical Synthesis and Analysis
- Luminescence and Fluorescent Materials
Universidad Autónoma de Madrid
2020-2024
Instituto de Química Médica
2023
Layered covalent organic frameworks (2D-COFs), composed of reversible imine linkages and accessible pores, offer versatility for chemical modifications towards the development catalytic materials. Nitrogen-enriched COFs are good candidates binding Pd species. Understanding local structure reacting sites bonded to COF pores is key rationalize interactions between active porous surfaces. By combining advanced synchrotron characterization methods with periodic computational DFT modeling,...
Encapsulating ultrasmall Cu nanoparticles inside Zr-MOFs to form core-shell architecture is very challenging but of interest for CO2 reduction. We report the first time incorporation NCs into a series benchmark Zr-MOFs, without aggregation, via scalable room temperature fabrication approach. The NCs@MOFs composites show much enhanced reactivity in comparison confined pore MOFs, regardless their similar intrinsic properties at atomic level. Moreover, introducing polar groups on MOF structure...
Abstract Metal–organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, range crystal structures can often be accessed from same building blocks, which complicates phase selectivity. Likewise, high sensitivity to slight changes conditions may cause reproducibility issues. This is crucial, as it hampers research and commercialization affected MOFs. Here, presents first‐ever...
Pair distribution function, PDF, analyses are emerging as a powerful tool to characterize <italic>non-ideal</italic> metal–organic framework (MOF) materials with compromised ordering.
Luminescent metal-organic frameworks are an emerging class of optical sensors, able to capture and detect toxic gases. Herein, we report the incorporation synergistic binding sites in MOF-808 through post-synthetic modification with copper for sensing NO2 at remarkably low concentrations. Computational modelling advanced synchrotron characterization tools applied elucidate atomic structure sites. The excellent performance Cu-MOF-808 is explained by effect between hydroxo/aquo-terminated...
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 modify chemistry in MOFs are well known, tackling these alterations from structural perspective is still challenge. We have combined infrared spectroscopy experiments and first-principles calculations identify presence node vacancies accessible for modifications within...
Covalent organic frameworks (COFs) are porous materials formed through condensation reactions of molecules via the formation dynamic covalent bonds. Among COFs, those based on imine and β-ketoenamine linkages offer an excellent platform for binding metallic species such as copper to design efficient heterogeneous catalysts. In this work, imine- β-ketoenamine-based COF were modified with catalytic sites following a metallation method, which favored amine defects. The obtained...
Advanced synchrotron characterization and computational modelling are applied to understand the local structure of added redox-active iron-oxo clusters bridging zirconia-nodes within MOF-808.
Abstract Layered covalent organic frameworks (2D‐COFs), composed of reversible imine linkages and accessible pores, offer versatility for chemical modifications towards the development catalytic materials. Nitrogen‐enriched COFs are good candidates binding Pd species. Understanding local structure reacting sites bonded to COF pores is key rationalize interactions between active porous surfaces. By combining advanced synchrotron characterization methods with periodic computational DFT...
β-Turns are one of the most common secondary structures found in proteins. In interest developing novel β-turn inducers, a diastereopure azepane-derived quaternary amino acid has been incorporated into library simplified tetrapeptide models order to assess effect azepane position and peptide sequence on stabilization β-turns. The conformational analysis these peptides by molecular modeling, NMR spectroscopy, X-ray crystallography showed that this is an effective inducer when at i + 1...
Abstract While many photoresponsive metal‒organic frameworks (MOFs) have been reported to date, finding applications in several technologically relevant fields such as photocatalysis, sensors, and light‐emitting devices, significantly scarcer are the reports addressing relationship between MOFs emissive features their crystalline domain size (i.e., micro‐ nano‐sized materials). Herein, a valuable contribution is offered this issue which consists of use reticular chemistry prepare Zr‐MOF...
Abstract Encapsulating ultrasmall Cu nanoparticles inside Zr‐MOFs to form core–shell architecture is very challenging but of interest for CO 2 reduction. We report the first time incorporation NCs into a series benchmark Zr‐MOFs, without aggregation, via scalable room temperature fabrication approach. The NCs@MOFs composites show much enhanced reactivity in comparison confined pore MOFs, regardless their similar intrinsic properties at atomic level. Moreover, introducing polar groups on MOF...
Metal--organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, range crystal structures can often be accessed from same building blocks, which complicates phase selectivity. Likewise, high sensitivity to slight changes conditions may cause reproducibility issues. This is crucial, as it hampers research and commercialisation affected MOFs. Here, we present first-ever...
Stabilizing catalytic iron-oxo-clusters within nanoporous metal-organic frameworks (MOF) is a powerful strategy to prepare new active materials for the degradation of toxic chemicals, such as bisphenol A. Herein, we combine pair distribution function analysis total X-ray scattering data and absorption spectroscopy, with computational modelling understand local structural nature added redox-active iron-oxo clusters bridging neighbouring zirconia-nodes MOF-808.
<p>Stabilizing catalytic iron-oxo-clusters within nanoporous metal-organic frameworks (MOF) is a powerful strategy to prepare new active materials for the degradation of toxic chemicals, such as bisphenol A. Herein, we combine pair distribution function analysis total X-ray scattering data and absorption spectroscopy, with computational modelling understand local structural nature added redox-active iron-oxo clusters bridging neighbouring zirconia-nodes MOF-808.</p>