Effect of modulator connectivity on promoting defectivity in titanium–organic frameworks
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Effect of modulator connectivity on promoting defectivity in titanium–organic frameworks

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Effect of modulator connectivity on promoting defectivity in titanium–organic frameworks

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dc.contributor.author Abánades Lázaro, Isabel
dc.contributor.author Almora-Barrios, Neyvis
dc.contributor.author Tatay Aguilar, Sergio
dc.contributor.author Martí Gastaldo, Carlos
dc.date.accessioned 2021-07-14T10:26:29Z
dc.date.available 2021-07-15T04:45:05Z
dc.date.issued 2020 es_ES
dc.identifier.uri https://hdl.handle.net/10550/79928
dc.description.abstract The recognition of defect chemistry as a true synthetic tool for targeted creation of defects and controllable performance remains limited by the pool of frameworks explored. The value of defect engineering in controlling the properties of defective frameworks has been beautifully exemplified and largely demonstrated with UiO-type materials based on Zr(IV) nodes. However, titanium–organic frameworks remain largely unexplored in this context arguably due to the complex chemistry in solution of Ti(IV) and the difficulties in growing crystalline solids. We report a systematic study on the ability of mono- and dicarboxylic modulators (benzoic and isophthalic acid) to promote defect creation in the heterometallic Ti-MOF of the MUV-10 family. Our results indicate that both acids behave as capping modulators at high concentrations, but isophthalic acid is a more efficient defect promoter, yielding defective phases with nearly 40% of missing linkers. Our computational results suggest that this difference cannot be solely ascribed to relative changes in acidity but to the ability of this bidentate linker in compensating the structural distortion and energy penalty imposed by breaking the connectivity of the underlying framework. es_ES
dc.description.sponsorship Marie Skłodowska (grant agreement No 837804, DefTiMOFs, MSCA-IF-2018) es_ES
dc.language.iso es es_ES
dc.source I. Abánades Lázaro, N. Almora-Baario, S. Tatay, C. Marti-Gastaldo, Effect of modulator connectivity on promoting defectivity in titanium–organic frameworks, Chem. Sci., 2021,12, 2586-2593 es_ES
dc.subject metal-organic frameworks es_ES
dc.subject defects es_ES
dc.subject titanium es_ES
dc.title Effect of modulator connectivity on promoting defectivity in titanium–organic frameworks es_ES
dc.type info:eu-repo/semantics/article es_ES
dc.subject.unesco UNESCO::QUÍMICA es_ES
dc.identifier.doi http://doi.org/10.1039/D0SC06105K es_ES
dc.identifier.idgrec 145757 es_ES
dc.accrualMethod - es_ES
dc.embargo.terms 0 days es_ES

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