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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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Pressure-Induced Hydrogen Bond Symmetrization in Babingtonite
Yungui Liu1,2,3, Xiang Li4,5, Cheng Qian2
1College of Gems and Materials Technology, Hebei GEO University, Shijiazhuang 050031, China.
Inorganic Chemistry
|April 3, 2025
Summary
High pressure causes hydrogen bonds in babingtonite to symmetrize around 22 GPa. Iron (Fe) spin transitions were not observed up to 40 GPa, indicating distinct pressure responses in this mineral.
Area of Science:
- Mineral Physics
- Geochemistry
- Materials Science
Background:
- Hydrogen bond symmetrization and iron spin transitions are crucial for understanding Fe- and H-bearing minerals under pressure.
- The interplay between these phenomena can complicate interpretations of mineral behavior.
- Babingtonite, with its distinct hydrogen bonds and iron oxidation states, serves as an ideal model system.
Purpose of the Study:
- To investigate the pressure-induced behavior of hydrogen bonds and iron spin states in babingtonite.
- To elucidate the relationship between hydrogen bond symmetrization and iron spin transitions under high pressure.
Main Methods:
- High-pressure infrared absorption spectroscopy.
- Single-crystal X-ray diffraction.
- Mössbauer spectroscopy.
Main Results:
- Hydrogen bond symmetrization was observed in babingtonite at approximately 22 GPa.
- No iron spin transition was detected up to 40 GPa.
- Unit cell deformation and changes in O-O distances indicated hydrogen bond symmetrization, leading to distorted Fe-O octahedra.
Conclusions:
- Hydrogen bond symmetrization in babingtonite occurs independently of iron spin transitions up to 40 GPa.
- Crystallographic analysis of structural distortions provides evidence for hydrogen bond symmetrization.
- Findings aid in determining hydrogen bond symmetrization and address challenges in locating hydrogen atoms via X-ray diffraction.
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