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- W4230894016 abstract "<div>The copper- and iron-containing metal-organic frameworks</div><div>(MOFs) HKUST-1 and MIL-100(Fe) absorb organic molecules into their pores. When loaded with electron-rich oligothiophenes, these MOFs react under heat to initiate oxidative polymerization of entrapped monomers. This reaction is not observed in the non-redox-active MOF MIL-100(Al). The resulting MOF composites contain conjugated polymer dopants trapped inside their pores, causing profound shifts in the composite electronic structure. We have characterized the composites by infrared, Raman, and UV-visible spectroscopy and examined their structure using confocal microscopy, scanning electron microscopy, and atomic force microscopy. Reasoning from TD-DFT calculations of an HKUST-1 model system bound to monomers, we rationalize the observed reactivity and propose an initiation mechanism based on a ligand-to-metal charge transfer state.</div>" @default.
- W4230894016 created "2022-05-11" @default.
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- W4230894016 date "2018-11-06" @default.
- W4230894016 modified "2023-09-26" @default.
- W4230894016 title "Polythiophene Doping of Metal-Organic Frameworks Using Innate MOF-Catalyzed Oxidative Polymerization" @default.
- W4230894016 doi "https://doi.org/10.26434/chemrxiv.7283474.v2" @default.
- W4230894016 hasPublicationYear "2018" @default.
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