Artículo
A simple computational model for MOF-5W absorption and photoluminescence to distinguish MOF-5 from its hydrolysis products
Fecha de publicación:
05/2020
Editorial:
Springer
Revista:
Journal of Materials Science
ISSN:
0022-2461
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In the present study, changes in absorptance and emission spectra of MOF-5 after being exposed to water are examined in detail and compared with DFT calculations. The results of the computational studies show the effect of water molecules in the absorptance spectra of MOF-5W, the first hydrolysis product of MOF-5, highlighting the role of the protonation of the ligand on the bandgap of these materials. Finally, the photoluminescence of MOF-5, MOF-5W and MOF-5H (the final hydrolysis product of MOF-5) is analysed in detail. These results indicate that changes in MOF-5 framework caused by the presence of water can be simply tracked by luminescence spectroscopy, making it possible to analyse the degree of hydrolysis (whether the sample contains MOF-5, MOF-5W or MOF-5H) without resorting to XRD analysis, for example.
Palabras clave:
Metal organic frameworks
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Articulos(IFIMAR)
Articulos de INST.DE INVESTIGACIONES FISICAS DE MAR DEL PLATA
Articulos de INST.DE INVESTIGACIONES FISICAS DE MAR DEL PLATA
Articulos(INQUIMAE)
Articulos de INST.D/QUIM FIS D/L MATERIALES MEDIOAMB Y ENERGIA
Articulos de INST.D/QUIM FIS D/L MATERIALES MEDIOAMB Y ENERGIA
Articulos(INTEMA)
Articulos de INST.DE INV.EN CIENCIA Y TECNOL.MATERIALES (I)
Articulos de INST.DE INV.EN CIENCIA Y TECNOL.MATERIALES (I)
Citación
Rodríguez, Nicolás Artemio; Parra, Rodrigo; San Roman, Enrique Arnoldo; Grela, Maria Alejandra; A simple computational model for MOF-5W absorption and photoluminescence to distinguish MOF-5 from its hydrolysis products; Springer; Journal of Materials Science; 55; 15; 5-2020; 6588-6597
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