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- W2319664579 abstract "The ambient-pressure α phase of 4,4′-bipyridine hydrobromide monohydrate, 44′biPyHBr·H2O, is orthorhombic, space group P212121. It can be compressed to 1.32 GPa at least. However, when recrystallized above 0.55 GPa, a hidden β-phase (monoclinic, P21/c) is formed. High-pressure single-crystal X-ray diffraction revealed the most unusual anomalous negative area strain between phases α and β: all unit-cell parameters abruptly expand, and the crystal volume compression fully derives from the shear strain of the monoclinic angle. Phases α and β are isostructural in the arrangement of cations NH+···N bonded into chains, and of ···HOH···Br–··· bonded water molecules and anions. The zigzag-motif frequency of ···HOH···Br–··· chains is coupled to the conformation of 44′biPyH+ cations: in phase α the rings are twisted by about 30° about bond C4–C4′, and in phase β the energy-unfavorable planar conformation is assumed. The proton disorder in the NH+···N bonds implies a high density of disproportionated dications, cations, and neutral molecules in both phases." @default.
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- W2319664579 date "2015-01-15" @default.
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- W2319664579 title "Conformational Conversion of 4,4′-Bipyridinium in a Hidden High-Pressure Phase" @default.
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- W2319664579 doi "https://doi.org/10.1021/cg501585a" @default.
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