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

S. Ferrandin; A. M. Z. Slawin; W. 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)

S. Ferrandin, A. M. Z. Slawin, W. T. A. Harrison

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

6 Citations (Scopus)

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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: Structure Reports Online
Volume	E75
DOIs	https://doi.org/10.1107/s2056989019010338
Publication status	Published - 31 Jul 2019
Externally published	Yes

ASJC Scopus subject areas

General Chemistry

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10.1107/s2056989019010338Licence: CC BY

Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2•ΑBr3•0.5H2O (it A = K, Rb, Cs)
Copyright 2019 the authors. This is an open access article published under a Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
Final published version, 562 KBLicence: CC BY

Investigating the timing and causes of nitrogen cycle changes in Bronze Age Ireland
Ferrandin, S. (Author), Plunkett, G. (Supervisor), Ogle, N. (Supervisor) & Britton, K. (Supervisor), Dec 2024
Student thesis: Doctoral Thesis › Doctor of Philosophy

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@article{36a4a4bbd57e4548b9ef930c1715b32e,

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

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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year = "2019",

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T1 - Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2•ΑBr3•0.5H2O (it A = K, Rb, Cs)

AU - Ferrandin, S.

AU - Slawin, A. M. Z.

AU - Harrison, W. T. A.

PY - 2019/7/31

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N2 - 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.

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.

U2 - 10.1107/s2056989019010338

DO - 10.1107/s2056989019010338

M3 - Article

SN - 1600-5368

VL - E75

SP - 1243

EP - 1248

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

ER -

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

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Investigating the timing and causes of nitrogen cycle changes in Bronze Age Ireland

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