Computational Exploration of NO Single-Site Disproportionation on Fe-MOF-5
نویسندگان
چکیده
منابع مشابه
NO disproportionation at a mononuclear site-isolated Fe(2+) center in Fe(2+)-MOF-5.
The weak-field ligand environments at the metal nodes of metal-organic frameworks (MOFs) mimic the electronic environment of metalloenzyme active sites, but little is known about the reactivity of MOF nodes toward small molecules of biological relevance. Here, we report that the ferrous ions in Fe(2+)-exchanged MOF-5 disproportionate nitric oxide to produce nitrous oxide and a ferric nitrito co...
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The metal nodes in metal-organic frameworks (MOFs) are known to act as Lewis acid catalysts, but few reports have explored their ability to mediate reactions that require electron transfer. The unique chemical environments at the nodes should facilitate unusual redox chemistry, but the difficulty in synthesizing MOFs with metal ions in reduced oxidation states has precluded such studies. Herein...
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High quality MOF-5 crystals of 5-25 mum in size were prepared for the first time using a sonochemical method in substantially reduced synthesis time (ca. 30 min) compared with conventional solvothermal synthesis (24 h).
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Multinuclear solid-state nuclear magnetic resonance, mass spectrometry, first-principles molecular dynamics simulations, and other complementary evidence reveal that the coordination environment around the Zn(2+) ions in MOF-5, one of the most iconic materials among metal-organic frameworks (MOFs), is not rigid. The Zn(2+) ions bind solvent molecules, thereby increasing their coordination numbe...
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T considerable interest in the chemistry and applications of metal−organic frameworks (MOFs) has led to significant synthetic advances in this area, yet the details of the self-assembly process that give rise to these materials are still unclear. This is curious, but not unexpected: the crystallization of MOFs is difficult to study because their nucleation typically requires unpredictable induc...
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ژورنال
عنوان ژورنال: Chemistry of Materials
سال: 2019
ISSN: 0897-4756,1520-5002
DOI: 10.1021/acs.chemmater.9b02910