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Pressure-Induced Irreversible Phase Transition in the Energetic Material Urea Nitrate: Combined Raman Scattering and X‑ray Diffraction Study
journal contribution
posted on 2013-01-10, 00:00 authored by Shourui Li, Qian Li, Kai Wang, Mi Zhou, Xiaoli Huang, Jing Liu, Ke Yang, Bingbing Liu, Tian Cui, Guangtian Zou, Bo ZouIn situ high-pressure Raman spectroscopy and synchrotron
X-ray
diffraction (XRD) have been employed to investigate the behavior of
the energetic material urea nitrate ((NH2)2COH+·NO3–, UN) up to the pressure
of ∼26 GPa. UN exhibits the typical supramolecular structure
with the uronium cation and nitrate anion held together by multiple
hydrogen bonds in the layer. The irreversible phase transition in
the range ∼9–15 GPa has been corroborated by experimental
results and is proposed to stem from rearrangements of hydrogen bonds.
Further analysis of XRD patterns indicates the new phase (phase II)
has Pc symmetry. The retrieved sample is ∼10.6%
smaller than the ambient phase (phase I) in volume owing to the transformation
from two-dimensional (2D) hydrogen-bonded networks to three-dimensional
(3D) ones. The mechanism for the phase transition involves the cooperativity
of noncovalent interactions under high pressure and distortions of
the layered structure. This work suggests high pressure is an efficient
technique to explore the performance of energetic materials, and to
synthesize new phases with high density.