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cc-by-nc (c) Calvo Galve, Néstor, et al., 2021
Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/185127

Exploiting Reaction-Diffusion Conditions to Trigger Pathway Complexity in the Growth of a MOF

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Coordinationpolymers(CPs),includingmetal-organicframeworks(MOFs),are crystallinematerialswithpromisingapplicationsin electronics,magnetism,catalysis,andgas storage/separation.However,the mechanismsandpath-waysunderlyingtheirformationremainlargelyundisclosed.Herein,we demonstratethatdiffusion-controlledmixingofreagentsat the veryearlystagesof the crystallizationprocess(i.e., within 40 ms),achievedby usingcontinuous-flowmicrofluidicdevices,can be usedto enablenovelcrystallizationpathwaysofaprototypicalspin-crossover MOFtowards itsthermodynamicproduct.In particular,twodistinctandunprecedentednucleation-growth pathwayswere experimen-tallyobservedwhencrystallizationwas triggeredundermicro-fluidicmixing.Full-atommoleculardynamicssimulationsalsoconfirmthe occurrenceof thesetwo distinctpathwaysduringcrystalgrowth.In sharpcontrast,acrystallizationby particleattachmentwas observedunderbulk(turbulent)mixing.Theseunprecedentedresultsprovideasoundbasisfor understandingthe growth of CPsand openup newavenuesfor the engineer-ing of porousmaterialsby usingout-of-equilibriumconditions

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CALVO GALVE, Néstor, ABRISHAMKAR, Afshin, SORRENTI, Alessandro, DI RIENZO, Lorenzo, SATTA, Mauro, D'ABRAMO, Marco, CORONADO, Eugenio, DE MELLO, Andrew j., MÍNGUEZ ESPALLARGAS, Guillem, PUIGMARTÍ-LUIS, Josep. Exploiting Reaction-Diffusion Conditions to Trigger Pathway Complexity in the Growth of a MOF. _Angewandte Chemie-International Edition_. 2021. Vol. 60, núm. 29, pàgs. 15920-15927. [consulta: 9 de gener de 2026]. ISSN: 1433-7851. [Disponible a: https://hdl.handle.net/2445/185127]

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