ArticleThe journal of physical chemistry letters2022
Vibrational Modes and Terahertz Phenomena of the Large-Cage Zeolitic Imidazolate Framework-71.
Article in The journal of physical chemistry letters, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Article
- ZIF-71-Coated CuO:Al with Enhanced Gas-Sensing Performance forACS applied electronic materials · 2025Article
- Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and Its Derivatives.Journal of chemical theory and computation · 2025Article
- Deep Blue Emitting Lead Halide Perovskite and Metal-Organic Framework Glass Composites Through Mechanochemistry.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- Physicochemical Properties, Equilibrium Adsorption Performance, Manufacturability, and Stability of TIFSIX-3-Ni for Direct Air Capture of COEnergy & fuels : an American Chemical Society journal · 2024Article
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The zeolitic imidazole framework ZIF-71 has the potential to outperform other well-studied metal-organic frameworks due to its intrinsic hydrophobicity and relatively large pore size. However, a detailed description of its complex physical phenomena and structural dynamics has been lacking thus far. Herein, we report the complete assignment of the vibrational modes of ZIF-71 using high-resolution inelastic neutron scattering measurements and synchrotron radiation infrared spectroscopy, corroborated by density functional theory (DFT) calculations. With its 816 atoms per unit cell, ZIF-71 is the largest system yet for which frequency calculations have been accomplished employing the CRYSTAL17 DFT code. We discover low-energy terahertz dynamics such as gate-opening and shearing modes that are central to the functions and stability of the ZIF-71 framework structure. Nanoscale analytical methods based on atomic force microscopy (near-field infrared spectroscopy and AFM nanoindentation) further unravel the local chemical and mechanical properties of ZIF-71 single crystals.
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Registered trials
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