Emergence of the Boson Peak in a Hybrid Framework Mediated by Hydrogen Bonds

= 1,3-diaminopropane; X = Cl, Br) as a clean platform free of phase transitions, glassiness, and any form of disorder. Low-temperature specific heat reveals a pronounced boson-peak-like anomaly with tunneling-state contributions down to 0.5 K. Crucially, the anomaly's temperature and intensity are directly modulated by hydrogen-bond strength, tuned via halide substitution (Cl → Br). Combined Raman spectroscopy and first-principles calculations trace its origin to an excess of low-frequency vibrations in the inorganic framework, induced by hydrogen-bond-mediated coupling between low-energy optical and acoustic phonons. Our work demonstrates that the boson peak can emerge intrinsically in a harmonic crystal lattice, providing a definitive structure-property relationship for controlling ∼1 THz vibrations via noncovalent interactions.

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Publication Details

Journal
Journal of the American Chemical Society
Published
2026-04-27
DOI
https://doi.org/10.1021/jacs.6c00709
Primary Topic
Solid-state spectroscopy and crystallography
Type
article
Field-Weighted Citation Impact
0.00

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article

Emergence of the Boson Peak in a Hybrid Framework Mediated by Hydrogen Bonds

Rui Luo, Zhaolong Liu, Xiaolong Chen, Gao Y et al.
Journal of the American Chemical Society
Solid-state spectroscopy and crystallography
article

Emergence of the Boson Peak in a Hybrid Framework Mediated by Hydrogen Bonds

Rui Luo, Zhaolong Liu, Xiaolong Chen, Gao Y, Shifeng Jin, Munan Hao
article en

Abstract

= 1,3-diaminopropane; X = Cl, Br) as a clean platform free of phase transitions, glassiness, and any form of disorder. Low-temperature specific heat reveals a pronounced boson-peak-like anomaly with tunneling-state contributions down to 0.5 K. Crucially, the anomaly's temperature and intensity are directly modulated by hydrogen-bond strength, tuned via halide substitution (Cl → Br). Combined Raman spectroscopy and first-principles calculations trace its origin to an excess of low-frequency vibrations in the inorganic framework, induced by hydrogen-bond-mediated coupling between low-energy optical and acoustic phonons. Our work demonstrates that the boson peak can emerge intrinsically in a harmonic crystal lattice, providing a definitive structure-property relationship for controlling ∼1 THz vibrations via noncovalent interactions.

Journal of the American Chemical SocietyVol. 148(17)
Chinese Academy of Sciences (CN), Centre de Nanosciences et de Nanotechnologies (FR), Songshan Lake Materials Laboratory (CN), FZU ‒ Institute of Physics of the Academy of Sciences of the Czech Republic (CZ), National Center for Nanoscience and Technology (CN), National Laboratory for Superconductivity (CN), University of Chinese Academy of Sciences (CN)
National Natural Science Foundation of China, Chinese Academy of Sciences
Industry, innovation and infrastructure
Openalex Percentile: Top 19%
Solid-state spectroscopy and crystallography
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