Proton Location in a Hybrid Molybdenum Bronze.

Authors

Raúl Torres-Cadena, W Lakna N Dayaratne, Yongqiang Cheng, Wei-Kuo Li, Hsing-Ta Chen, Adam Jaffe

Published in

Journal of the American Chemical Society. Jul 22, 2026. Epub Jul 22, 2026.

Abstract

Determining the position and behavior of hydrogen atoms in solids is a pervasive challenge. We identify the location of intercalated protons that charge-balance the mixed valence of promising hybrid organic-inorganic metal oxides called hybrid bronzes. Using a combined experimental and computational approach that includes analysis of microcrystalline powder via neutron scattering at 10 K and solid-state nuclear magnetic resonance at room temperature, we observe evidence for hydrogen localization at both bridging and terminal oxo sites within the metal oxide layer of (4,4'-bipy)_0.5H_xMoO₃ (4,4'-bipy = 4,4'-bipyridine; 0.3 ≤ x ≤ 0.5). This structure-composition-property insight answers a key question that impacts both the fundamental and applied potential of hybrid bronzes and may generalize to other systems.

PMID:
42484998
Bibliographic data and abstract were imported from PubMed on 22 Jul 2026.

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