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

The metal-organic framework MOF-808 contains Zr6O8nodes 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 Zr6O8nodes in MOFs are well known, tackling thes...

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Detalhes bibliográficos
Autores: Romero Muñiz, Ignacio, Romero Muñiz, Carlos, Castillo Velilla, Isabel del, Marini, Carlo, Calero, Sofía, Zamora Abanades, Félix Juan, Platero Prats, Ana Eva
Formato: artículo
Fecha de publicación:2022
País:España
Recursos:Universidad Autónoma de Madrid
Repositorio:Biblos-e Archivo. Repositorio Institucional de la UAM
Idioma:inglés
OAI Identifier:oai:repositorio.uam.es:10486/703225
Acesso em linha:http://hdl.handle.net/10486/703225
https://dx.doi.org/10.1021/acsami.2c04712
Access Level:acceso abierto
Palavra-chave:1,3-dipolar cycloaddition
Density functional theory calculations
Local structure
Vibrational spectroscopy
Zirconium metal-organic frameworks
Química
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spelling Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework NodesRomero Muñiz, IgnacioRomero Muñiz, CarlosCastillo Velilla, Isabel delMarini, CarloCalero, SofíaZamora Abanades, Félix JuanPlatero Prats, Ana Eva1,3-dipolar cycloadditionDensity functional theory calculationsLocal structureVibrational spectroscopyZirconium metal-organic frameworksQuímicaThe metal-organic framework MOF-808 contains Zr6O8nodes 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 Zr6O8nodes 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 cycloadditionsThis work was supported by RTI2018-096138-A-I00 funded by MCIN/AEI/10.13039/501100011033 and EUR2020- 112294 funded by MCIN/AEI/10.13039/501100011033 and by the European Union “NextGenerationEU”/PRTR. A.E.P.-P. and F.Z. acknowledge the financial support from the Spanish Ministry of Science and Innovation through the “Marí a de Maeztu” Programme for Units of Excellence in R&D (CEX2018-000805-M)American Chemical SocietyDepartamento de Química InorgánicaFacultad de Ciencias20222022-05-31research articlehttp://purl.org/coar/resource_type/c_2df8fbb1VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10486/703225https://dx.doi.org/10.1021/acsami.2c04712reponame:Biblos-e Archivo. Repositorio Institucional de la UAMinstname:Universidad Autónoma de MadridInglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:repositorio.uam.es:10486/7032252026-06-23T12:46:27Z
dc.title.none.fl_str_mv Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
title Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
spellingShingle Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
Romero Muñiz, Ignacio
1,3-dipolar cycloaddition
Density functional theory calculations
Local structure
Vibrational spectroscopy
Zirconium metal-organic frameworks
Química
title_short Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
title_full Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
title_fullStr Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
title_full_unstemmed Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
title_sort Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes
dc.creator.none.fl_str_mv Romero Muñiz, Ignacio
Romero Muñiz, Carlos
Castillo Velilla, Isabel del
Marini, Carlo
Calero, Sofía
Zamora Abanades, Félix Juan
Platero Prats, Ana Eva
author Romero Muñiz, Ignacio
author_facet Romero Muñiz, Ignacio
Romero Muñiz, Carlos
Castillo Velilla, Isabel del
Marini, Carlo
Calero, Sofía
Zamora Abanades, Félix Juan
Platero Prats, Ana Eva
author_role author
author2 Romero Muñiz, Carlos
Castillo Velilla, Isabel del
Marini, Carlo
Calero, Sofía
Zamora Abanades, Félix Juan
Platero Prats, Ana Eva
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Departamento de Química Inorgánica
Facultad de Ciencias
dc.subject.none.fl_str_mv 1,3-dipolar cycloaddition
Density functional theory calculations
Local structure
Vibrational spectroscopy
Zirconium metal-organic frameworks
Química
topic 1,3-dipolar cycloaddition
Density functional theory calculations
Local structure
Vibrational spectroscopy
Zirconium metal-organic frameworks
Química
description The metal-organic framework MOF-808 contains Zr6O8nodes 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 Zr6O8nodes 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
publishDate 2022
dc.date.none.fl_str_mv 2022
2022-05-31
dc.type.none.fl_str_mv research article
http://purl.org/coar/resource_type/c_2df8fbb1
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10486/703225
https://dx.doi.org/10.1021/acsami.2c04712
url http://hdl.handle.net/10486/703225
https://dx.doi.org/10.1021/acsami.2c04712
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:Biblos-e Archivo. Repositorio Institucional de la UAM
instname:Universidad Autónoma de Madrid
instname_str Universidad Autónoma de Madrid
reponame_str Biblos-e Archivo. Repositorio Institucional de la UAM
collection Biblos-e Archivo. Repositorio Institucional de la UAM
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,301603

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