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Title: | Exploiting Reaction-Diffusion Conditions to Trigger Pathway Complexity in the Growth of a MOF |
Author: | Calvo Galve, Néstor Abrishamkar, Afshin Sorrenti, Alessandro Di Rienzo, Lorenzo Satta, Mauro D'Abramo, Marco Coronado, Eugenio De Mello, Andrew J. Minguez Espallargas, Guillem Puigmartí-Luis, Josep |
Keywords: | Polímers Cristal·lització Microfluídica Polymers Crystallization Microfluidics |
Issue Date: | 12-Jul-2021 |
Publisher: | Wiley-VCH |
Abstract: | 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 |
Note: | Reproducció del document publicat a: https://doi.org/10.1002/anie.202101611 |
It is part of: | Angewandte Chemie-International Edition, 2021, vol. 60, num. 29, p. 15920-15927 |
URI: | http://hdl.handle.net/2445/185127 |
Related resource: | https://doi.org/10.1002/anie.202101611 |
ISSN: | 1433-7851 |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) Publicacions de projectes de recerca finançats per la UE Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) |
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