The Journal of Physical Chemistry C · 2014 · 11 citations · 36 references
Natural SciencesChemistryMaterials ScienceMaterials ChemistryPhysical ChemistrySupramolecular ChemistryHigh-pressure ThermodynamicsMolecular SymmetryRaman SpectroscopySelf-assembled MaterialsSelf-assemblySupramolecular MaterialsEnergy DensityHigh-pressure SynthesisHydrogen-bonded MaterialsHydrogen-bonded NetworksRaman SpectraSupramolecular InteractionsSynchrotron X-ray DiffractionX-ray Diffraction Analysis
High pressure is an essential thermodynamic parameter in exploring the performance of condensed energetic materials. Combination of high-pressure techniques and supramolecular chemistry opens a new avenue for synthesis of high energy density materials. Herein, we fabricate a new high-pressure-assisted assembly of energetic material acetamidinium nitrate (C 2 N 2 H 7 + ·NO 3 –, AN) with P -1 symmetry after a 0–12 GPa–0 treatment at room temperature, which exhibits a density that is 9.8% higher than that of the initial P 2 1 / m phase. Evolution of intermolecular lattice modes in Raman spectra and synchrotron X-ray diffraction (XRD) patterns provide strong evidence for this transition in the 1.3–3.4 GPa range. The mechanism involves relative motions between ionic pairs in the hydrogen-bonded array and distortions of building blocks.
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First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
Supramolecular Chemistry: Receptors, Catalysts, and Carriers
Jean‐Maríe Lehn · Science · 1985 · 814 citations