Reactivity and Stability of Polyoxometalate Water Oxidation Electrocatalysts

Gao, Dandan; Trentin, Ivan; Schwiedrzik, Ludwig; González, Leticia; Streb, Carsten

doi:10.20944/preprints201912.0294.v1

2019

DOI: 10.20944/preprints201912.0294.v1

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Reactivity and Stability of Polyoxometalate Water Oxidation Electrocatalysts

Dandan Gao¹,

Ivan Trentin²,

Ludwig Schwiedrzik³

et al.

Abstract: This review describes major advances in the use of functionalized molecular metal oxides (polyoxometalates, POMs) as water oxidation catalysts under electrochemical conditions. The fundamentals of POM-based water oxidation are described together with a brief overview of general approaches to designing POM water oxidation catalysts. Next, the use of POMs for homogeneous, solution-phase water oxidation is described together with a summary of theoretical studies shedding light on the POM-WOC mechanism. This is fo… Show more

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Cited by 3 publications

References 98 publications

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POM@MOF Hybrids: Synthesis and Applications

et al. 2020

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The hybrid materials that are created by supporting or incorporating polyoxometalates (POMs) into/onto metal–organic frameworks (MOFs) have a unique set of properties. They combine the strong acidity, oxygen-rich surface, and redox capability of POMs, while overcoming their drawbacks, such as difficult handling, a low surface area, and a high solubility. MOFs are ideal hosts because of their high surface area, long-range ordered structure, and high tunability in terms of the pore size and channels. In some cases, MOFs add an extra dimension to the functionality of hybrids. This review summarizes the recent developments in the field of POM@MOF hybrids. The most common applied synthesis strategies are discussed, together with major applications, such as their use in catalysis (organocatalysis, electrocatalysis, and photocatalysis). The more than 100 papers on this topic have been systematically summarized in a handy table, which covers almost all of the work conducted in this field up to now.

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POM@MOF Hybrids: Synthesis and Applications

et al. 2020

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A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase

et al. 2021

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We present a molecular mechanics force field in AMBER format for the mixed-valence manganese vanadium oxide cluster [Mn4V4O17(OAc)3]3−—a synthetic analogue of the oxygen-evolving complex that catalyzes the water oxidation reaction in photosystem II—with parameter sets for two different oxidation states. Most force field parameters involving metal atoms have been newly parametrized and the harmonic terms refined using hybrid quantum mechanics/molecular mechanics reference simulations, although some parameters were adapted from pre-existing force fields of vanadate cages and manganese oxo dimers. The characteristic Jahn–Teller distortions of d4 MnIII ions in octahedral environments are recovered by the force field. As an application, the developed parameters have been used to calculate the redox potential of the [MnIIIMn3IV] ⇌ [Mn4IV]+e− half-reaction in acetonitrile by means of Marcus theory.

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New Organic-Inorganic Hybrid Compounds Based on Sodium Peroxidomolybdates (VI) and Derivatives of Pyridine Acids: Structure Determination and Catalytic Properties

et al. 2022

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Two organic-inorganic hybrids based on sodium peroxidomolybdates(VI) and 3,5-dicarboxylic pyridine acid (Na-35dcpa) or N-oxide isonicotinic acid (Na-isoO) have been synthesized and characterized. All compounds contain inorganic parts: a pentagonal bipyramid with molybdenum center, and an organic part containing 3,5-dicarboxylic pyridine acid or N-oxide isonicotinic acid moieties. The type of organic part used in the synthesis influences the crystal structure of obtained compounds. This aspect can be interesting for crystal engineering. Crystal structures were determined using powder X-ray diffraction or single crystal diffraction for compounds Na-35dcpa and Na-isoO, respectively. Elemental analysis was used to check the purity of the obtained compounds, while X-ray Powder Diffraction (XRPD) vs. temp. was applied to verify their stability. Moreover, all the compounds were examined by Infrared (IR) spectroscopy. Their catalytic activity was tested in the Baeyer–Villiger (BV) oxidation of cyclohexanone to ε-caprolactone in the oxygen-aldehyde system. The highest catalytic activity in the BV oxidation was observed for Na-35dcpa. The compounds were also tested for biological activity on human normal cells (fibroblasts) and colon cancer cell lines (HT-29, LoVo, SW 620, HCT 116). All compounds were cytotoxic against tumor cells with metastatic characteristics, which makes them interesting and promising candidates for further investigations of specific anticancer mechanisms.

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Reactivity and Stability of Polyoxometalate Water Oxidation Electrocatalysts

Cited by 3 publications

References 98 publications

POM@MOF Hybrids: Synthesis and Applications

POM@MOF Hybrids: Synthesis and Applications

A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase

New Organic-Inorganic Hybrid Compounds Based on Sodium Peroxidomolybdates (VI) and Derivatives of Pyridine Acids: Structure Determination and Catalytic Properties

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