Mechanistic Insights into Solvent-Mediated Halide-Specific Irreversible Transformation of Cu-MOF with Iodide Detection Capability
Year: 2024
Type: article
Abstract: The fascinating feature of metal−organic frameworks is that they can respond toexternal stimuli, unlikeother inorganicmaterials.This featurecorresponds to the framework’s flexibility,whichoriginateswiththelong-rangecrystallineorderof the framework accompanied by cooperative structural transformability.We have synthesized a novelmetal−organic frameworkcomprisedofCu(I)nodeswithpyrazinelinkersandbenzene1,3,5-tricarboxylateactingas templateanions, namedCUCAM-1 [Cu(Py)2(BTC)]n. In the presence of polar solvent systems, CUCAM-1undergoesanirreversiblestructural transformationto yield a mixed phase that consists of HKUST-1 [Cu3(BTC)2(H2O)3]n andanotherCUCAM-2[Cu(Py)(BTC)]n MOFs,whosenovelstructureissuccessfullyrevealedbycontinuousrotationelectrondiffractionfromthemixture. Inthisstructural transformation, anewligandexchangeoccurswhere templateanionsbecome ligands, confirmedbysinglecrystalX-rayanalysis. Further, structural transformation and themechanismare explained by ab initiomolecular dynamics (AIMD) simulations. Interestingly, differenthalides(F−,Cl−, andBr−)canbeaccompaniedtoaffect/control thecompositionof thesecondphaseby favoring the formationof theHKUST-1phase overCUCAM-2, whichwas evident by the powderX-raydiffraction studies. Furthermore, thestructural transformationinducedbyI−resultedinacolorimetricresponseduetotheformationofanewMOF CUCAM-3,pavingthewayforuseasaniodidedetector.
Authors: Irfan, Ahamad, Nulakani, Naga Venkateswara Rao, Gandra, Upendar Reddy, Gyepes, Robert, Henke, Petr, Kubů, Martin, Mosinger, Jiří, Belmabkhout, Youssef, Qurashi, Ahsanulhaq, Čejka, Jiří, Morris, Russell, Huang, Zhehao, Ali, Mohamad Akbar, Mohideen, M. Infas H.
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7081943640
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