ArticleChemistry of materials : a publication of the American Chemical Society2024
Unraveling Thermally Regulated Gating Mechanisms in TPT Pore-Partitioned MOF-74: A Computational Endeavor.
Article in Chemistry of materials : a publication of the American Chemical Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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Who cites it
4 citing papers in PubMed.
- Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and Its Derivatives.Journal of chemical theory and computation · 2025Article
- Recent Advances in Transition Metal-Based Metal-Organic Frameworks for Hydrogen Production.Small science · 2025Review
- Photoisomerization-mediated tunable pore size in metal organic frameworks for U(VI)/V(V) selective separation.Nature communications · 2025Article
- Unraveling Thermally Regulated Gating Mechanisms in TPT Pore-Partitioned MOF-74: A Computational Endeavor.Chemistry of materials : a publication of the American Chemical Society · 2024Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
In the pursuit of advanced gas adsorption materials, we investigate the thermally activated gating mechanism of functionalized TPT (2,4,6-tri(4-pyridyl)-1,3,5-triazine) ligands within the one-dimensional channels of Mg-MOF-74. These ligands induce the formation of ultramicroporous windows, whose sizes dynamically respond to substituent groups and temperature. Gas-phase DFT calculations reveal molecular rotator behavior in the TPT-X (X = H, F, CH
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Registered trials
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