Proton Location in a Hybrid Molybdenum Bronze
Raúl Torres-Cadena1, W Lakna N Dayaratne1, Yongqiang Cheng2
1Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Journal of the American Chemical Society
|July 22, 2026
Summary
Researchers pinpointed hydrogen atom locations in hybrid bronzes, crucial for understanding these materials. This finding advances the study of metal oxides and their charge-balancing mechanisms.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Inorganic Chemistry
Background:
- Determining hydrogen atom positions in solids is a significant challenge.
- Hybrid organic-inorganic metal oxides, known as hybrid bronzes, are promising materials with potential applications.
- Understanding the role of intercalated protons in hybrid bronzes is key to their development.
Purpose of the Study:
- To identify the specific locations of intercalated protons within the hybrid bronze structure.
- To elucidate the charge-balancing mechanism in hybrid bronzes.
- To provide structure-composition-property insights for hybrid bronzes.
Main Methods:
- Combined experimental and computational approach.
- Neutron scattering analysis of microcrystalline powder at low temperatures (10 K).
- Solid-state nuclear magnetic resonance spectroscopy at room temperature.
Main Results:
- Identified hydrogen localization at both bridging and terminal oxo sites within the metal oxide layer.
- Provided evidence for hydrogen atom positions in (4,4'-bipy)0.5HxMoO3 (0.3 ≤ x ≤ 0.5).
- Established a link between structure, composition, and properties in hybrid bronzes.
Conclusions:
- The study successfully located intercalated protons, answering a key question in hybrid bronze research.
- The findings have implications for both fundamental understanding and applied potential of hybrid bronzes.
- The methodology and insights may be applicable to other related material systems.
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