Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2•ΑBr3•0.5H2O (it A = K, Rb, Cs)

Sarah Ferrandin; Alexandra M. Z. Slawin; William T. A. Harrison

doi:10.1107/S2056989019010338

Syntheses and crystal structures of a new family of hybrid perovskites: C₅H₁₄N₂•ΑBr₃•0.5H₂O (it A = K, Rb, Cs)

Sarah Ferrandin, Alexandra M. Z. Slawin, William T. A. Harrison^* (Corresponding Author)

^*Corresponding author for this work

Chemistry

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Abstract

The syntheses and crystal structures of three hybrid perovskites, viz. poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate], {(C₅H₁₄N₂)[KBr₃]·0.5H₂O}n, (I), poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate], {(C₅H₁₄N₂)[RbBr₃]·0.5H₂O}_n, (II), and poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate], {(C₅H₁₄N₂)[CsBr₃]·0.5H₂O}_n, (III), are described. These isostructural (space group Amm2) phases contain a three-dimensional, corner-sharing network of distorted ABr₆ octahedra (A = K, Rb, Cs) with the same topology as the classical perovskite structure. The doubly protonated C₅H₁₄N₂²⁺ cations occupy interstices bounded by eight octahedra and the water molecules lie in square sites bounded by four octahedra. N—H⋯Br, N—H⋯(Br,Br), N—H⋯O and O—H⋯Br hydrogen bonds consolidate the structures.

Original language	English
Pages (from-to)	1243-1248
Number of pages	6
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	75
Issue number	8
Early online date	26 Jul 2019
DOIs	https://doi.org/10.1107/S2056989019010338
Publication status	Published - 1 Aug 2019

Keywords

crystal structure
hybrid perovskite
hydrogen bonding

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Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2ABr30.5H2O (A = K, Rb, Cs)
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Syntheses and crystal structures of a new family of hybrid perovskites : C₅H₁₄N₂•ΑBr₃•0.5H₂O (it A = K, Rb, Cs). / Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A. (Corresponding Author).

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 75, No. 8, 01.08.2019, p. 1243-1248.

Research output: Contribution to journal › Article › peer-review

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abstract = "The syntheses and crystal structures of three hybrid perovskites, viz. poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate], {(C5H14N2)[KBr3]·0.5H2O}n, (I), poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate], {(C5H14N2)[RbBr3]·0.5H2O}n, (II), and poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate], {(C5H14N2)[CsBr3]·0.5H2O}n, (III), are described. These isostructural (space group Amm2) phases contain a three-dimensional, corner-sharing network of distorted ABr6 octahedra (A = K, Rb, Cs) with the same topology as the classical perovskite structure. The doubly protonated C5H14N22+ cations occupy interstices bounded by eight octahedra and the water molecules lie in square sites bounded by four octahedra. N—H⋯Br, N—H⋯(Br,Br), N—H⋯O and O—H⋯Br hydrogen bonds consolidate the structures.",

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AB - The syntheses and crystal structures of three hybrid perovskites, viz. poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate], {(C5H14N2)[KBr3]·0.5H2O}n, (I), poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate], {(C5H14N2)[RbBr3]·0.5H2O}n, (II), and poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate], {(C5H14N2)[CsBr3]·0.5H2O}n, (III), are described. These isostructural (space group Amm2) phases contain a three-dimensional, corner-sharing network of distorted ABr6 octahedra (A = K, Rb, Cs) with the same topology as the classical perovskite structure. The doubly protonated C5H14N22+ cations occupy interstices bounded by eight octahedra and the water molecules lie in square sites bounded by four octahedra. N—H⋯Br, N—H⋯(Br,Br), N—H⋯O and O—H⋯Br hydrogen bonds consolidate the structures.

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Syntheses and crystal structures of a new family of hybrid perovskites: C₅H₁₄N₂•ΑBr₃•0.5H₂O (it A = K, Rb, Cs)

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