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Isoxazole-Stabilized Clathrate Hydrate for Hydrogen Storage
Gaurav Vishwakarma1, Emmerson Hondo1, Kan Jeenmuang1
1Department of Chemical and Biomolecular Engineering, National University of Singapore, Singapore 117580, Singapore.
The Journal of Physical Chemistry Letters
|February 2, 2026
Summary
Researchers discovered a new hydrogen storage method using isoxazole hydrates. This novel C-H···O bonding stabilizes the structure, offering a promising avenue for efficient and safe hydrogen gas storage materials.
Area of Science:
- Materials Science
- Chemical Engineering
- Energy Storage
Background:
- Safe and efficient hydrogen storage is crucial for a carbon-neutral future.
- Clathrate hydrates offer a sustainable platform for solid-state hydrogen storage.
- Molecular interactions governing hydrate stability are not well understood.
Purpose of the Study:
- To investigate the molecular interactions and stability of hydrogen-isoxazole (ISXZ) hydrates.
- To identify novel stabilizing mechanisms for gas storage in clathrate structures.
Main Methods:
- Powder X-ray diffraction (PXRD)
- Raman spectroscopy
- Comparative studies of pure ISXZ and N2-ISXZ hydrates
Main Results:
- Demonstrated the first hydrogen-isoxazole (ISXZ) hydrate.
- Identified a C4-H···O host-guest linkage stabilizing the structure II lattice.
- ISXZ maintains lattice stability even with vacant small cages or bulkier N2 guests.
Conclusions:
- Isoxazole (ISXZ) acts as a prototype heteroaromatic promoter for hydrogen storage.
- C-H···O bonding is a key motif for designing advanced gas-storage materials.
- This work advances understanding of clathrate hydrate stability for energy applications.
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