We report the development of a molecular ferroelectric material inspired by the hexamethylenetetramine (hmta) non‐centrosymmetric molecular rotator. The bromide salt of diprotonated hmta (hmtaH2) crystalized as (hmtaH2)(NH4)Br3 in a metal‐free ABX3 perovskite‐type structure, in which the A and B sites are occupied by hmtaH22+ and ammonium cations, respectively. The compound crystallized in the Pma2 polar space group. A distorted polar perovskite structure formed owing to the distortion of {(NH4)Br6} octahedrons that are stabilized through the formation of NH⋅⋅⋅Br hydrogen bonds and the orientational ordering of positive charges on the non‐centrosymmetric hmtaH2 molecules. This spontaneous polarization exhibited ferroelectric behavior with a nominally high Curie temperature (>400 K), in which the electrical switching of polarization originates from the rotation of the hmtaH2 unit.
We report the development of am olecular ferroelectric material inspired by the hexamethylenetetramine (hmta) non-centrosymmetric molecular rotator.T he bromide salt of diprotonated hmta (hmtaH 2 )c rystalized as (hmtaH 2 )-(NH 4 )Br 3 in am etal-free ABX 3 perovskite-type structure,i n which the Aa nd Bs ites are occupied by hmtaH 2 2+ and ammonium cations,respectively.The compound crystallized in the Pma2 polar space group.Ad istorted polar perovskite structure formed owingt ot he distortion of {(NH 4 )Br 6 } octahedrons that are stabilized through the formation of NH···Br hydrogen bonds and the orientational ordering of positive charges on the non-centrosymmetric hmtaH 2 molecules.T his spontaneous polarization exhibited ferroelectric behavior with an ominally high Curie temperature (> 400 K), in which the electrical switching of polarization originates from the rotation of the hmtaH 2 unit.
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