Synergistic binding sites in a metal-organic framework for the optical sensing of nitrogen dioxide

Isabel Castillo-Velilla, Ahmad Sousaraei, Ignacio Romero-Muñiz, Celia Castillo-Blas, Alba S. J. Méndez, Freddy E. Oropeza, Víctor A. Peña O’Shea, Juan Cabanillas-González, Andreas Mavrandonakis () and Ana E. Platero-Prats ()
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Isabel Castillo-Velilla: Universidad Autónoma de Madrid
Ahmad Sousaraei: Universidad Autónoma de Madrid
Ignacio Romero-Muñiz: Universidad Autónoma de Madrid
Celia Castillo-Blas: Universidad Autónoma de Madrid
Alba S. J. Méndez: Deutsches Elektronen-Synchrotron DESY
Freddy E. Oropeza: IMDEA Energy, Parque Tecnológico de Móstoles
Víctor A. Peña O’Shea: IMDEA Energy, Parque Tecnológico de Móstoles
Juan Cabanillas-González: IMDEA Nanociencia
Andreas Mavrandonakis: IMDEA Energy, Parque Tecnológico de Móstoles
Ana E. Platero-Prats: Universidad Autónoma de Madrid

Nature Communications, 2023, vol. 14, issue 1, 1-10

Abstract: Abstract Luminescent metal-organic frameworks are an emerging class of optical sensors, able to capture and detect toxic gases. Herein, we report the incorporation of synergistic binding sites in MOF-808 through post-synthetic modification with copper for optical sensing of NO2 at remarkably low concentrations. Computational modelling and advanced synchrotron characterization tools are applied to elucidate the atomic structure of the copper sites. The excellent performance of Cu-MOF-808 is explained by the synergistic effect between the hydroxo/aquo-terminated Zr6O8 clusters and the copper-hydroxo single sites, where NO2 is adsorbed through combined dispersive- and metal-bonding interactions.

Date: 2023
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DOI: 10.1038/s41467-023-38170-9

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