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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.citation	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.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.language.iso	es	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	journal article	es_ES
dc.subject.unesco	UNESCO::QUÍMICA	es_ES
dc.identifier.doi	10.1039/D0SC06105K	es_ES
dc.identifier.idgrec	145757	es_ES
dc.accrualmethod	-	es_ES
dc.embargo.terms	0 days	es_ES
dc.relation.projectID	Marie Skłodowska (grant agreement No 837804, DefTiMOFs, MSCA-IF-2018)	es_ES