ArticleInorganic chemistry2025
Nucleation Roadmap of Reduced Polyoxovanadate-Alkoxide Clusters.
Article in Inorganic chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Exploring the chemical space of transition-metal cluster thermodynamics via automated first-principles calculations and machine learning.Nature communications · 2026Article
- Redox-State-Driven Site Selectivity and Kinetic Gating in Polyoxovanadate Methylation.Inorganic chemistry · 2026Article
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Authors and funding
3 authors.
Funding
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Abstract
Polyoxovanadate-alkoxides are a growing family of earth-abundant first-row transition metal polynuclear species highly promising for their tunable redox properties. The speciation and nucleation chemical space of these species is divided into two groups: 1) fully oxidized V(V) monomeric precursors that aggregate into Lindqvist-type clusters and 2) reduced V(IV) precursors forming cyclic structures. The nucleation of cyclic polyoxovanadate-alkoxides with varying alkyl chain lengths, the impact of the presence of templating anions, and their subsequent evolution to the Lindqvist-type congener were studied by using density functional theory. The evolution of cyclic polyoxovanadate-alkoxides to oxygen-vacant cluster structures was found to be endergonic, in agreement with previous experimental work. Moreover, the reactivity with traces of water in alcohol solvents was confirmed to be the main thermodynamic driving force toward the formation of the mixed-valent Lindqvist-type polyoxovanadate species.
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Registered trials
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