Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH3(CH2)2COOH]2CdCl4 of Y-aminobutyric acid (GABA)

Mohammed B. AlShammari; A. Kaiba; P. Guionneau; Mohammed H. Geesi; Talal Aljohani; Yassine Riadi

doi:10.1016/j.cplett.2018.04.051

Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH₃(CH₂)₂COOH]₂CdCl₄ of Y-aminobutyric acid (GABA)

Mohammed B. AlShammari, A. Kaiba, P. Guionneau, Mohammed H. Geesi, Talal Aljohani, Yassine Riadi

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Abstract

A new organic-inorganic hybrid with the formula (NH₃C₃H₆CO₂H)₂CdCl₄ has been crystallized and investigated by X-ray diffraction. Structural investigations highlight a first-order reversible structural phase transition occurring within the range (290-370 K) between a chiral (phase II) and non-centrosymmetric (Phase I) crystal packing. This strong structural reorganization is the result of conformational changes in the organic chains accompanied by a decrease in octahedral distortion. The accurate crystallographic analysis illustrates the crucial role of organic moieties. The experimental energy gap value (3.65 eV) is in good agreement with the theoretical value obtained by density functional theory.

Original language	English
Pages (from-to)	8-15
Number of pages	8
Journal	Chemical Physics Letters
Volume	702
DOIs	https://doi.org/10.1016/j.cplett.2018.04.051
State	Published - 16 Jun 2018

Keywords

Crystal structure
DFT
Differential Scanning Calorimeter (DSC)
Phase transition
X-ray diffraction

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10.1016/j.cplett.2018.04.051

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title = "Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH3(CH2)2COOH]2CdCl4 of Y-aminobutyric acid (GABA)",

abstract = "A new organic-inorganic hybrid with the formula (NH3C3H6CO2H)2CdCl4 has been crystallized and investigated by X-ray diffraction. Structural investigations highlight a first-order reversible structural phase transition occurring within the range (290-370 K) between a chiral (phase II) and non-centrosymmetric (Phase I) crystal packing. This strong structural reorganization is the result of conformational changes in the organic chains accompanied by a decrease in octahedral distortion. The accurate crystallographic analysis illustrates the crucial role of organic moieties. The experimental energy gap value (3.65 eV) is in good agreement with the theoretical value obtained by density functional theory.",

keywords = "Crystal structure, DFT, Differential Scanning Calorimeter (DSC), Phase transition, X-ray diffraction",

author = "AlShammari, \{Mohammed B.\} and A. Kaiba and P. Guionneau and Geesi, \{Mohammed H.\} and Talal Aljohani and Yassine Riadi",

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doi = "10.1016/j.cplett.2018.04.051",

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T1 - Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH3(CH2)2COOH]2CdCl4 of Y-aminobutyric acid (GABA)

AU - AlShammari, Mohammed B.

AU - Kaiba, A.

AU - Guionneau, P.

AU - Geesi, Mohammed H.

AU - Aljohani, Talal

AU - Riadi, Yassine

PY - 2018/6/16

Y1 - 2018/6/16

N2 - A new organic-inorganic hybrid with the formula (NH3C3H6CO2H)2CdCl4 has been crystallized and investigated by X-ray diffraction. Structural investigations highlight a first-order reversible structural phase transition occurring within the range (290-370 K) between a chiral (phase II) and non-centrosymmetric (Phase I) crystal packing. This strong structural reorganization is the result of conformational changes in the organic chains accompanied by a decrease in octahedral distortion. The accurate crystallographic analysis illustrates the crucial role of organic moieties. The experimental energy gap value (3.65 eV) is in good agreement with the theoretical value obtained by density functional theory.

AB - A new organic-inorganic hybrid with the formula (NH3C3H6CO2H)2CdCl4 has been crystallized and investigated by X-ray diffraction. Structural investigations highlight a first-order reversible structural phase transition occurring within the range (290-370 K) between a chiral (phase II) and non-centrosymmetric (Phase I) crystal packing. This strong structural reorganization is the result of conformational changes in the organic chains accompanied by a decrease in octahedral distortion. The accurate crystallographic analysis illustrates the crucial role of organic moieties. The experimental energy gap value (3.65 eV) is in good agreement with the theoretical value obtained by density functional theory.

KW - Crystal structure

KW - DFT

KW - Differential Scanning Calorimeter (DSC)

KW - Phase transition

KW - X-ray diffraction

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U2 - 10.1016/j.cplett.2018.04.051

DO - 10.1016/j.cplett.2018.04.051

M3 - Article

AN - SCOPUS:85046445227

SN - 0009-2614

VL - 702

SP - 8

EP - 15

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH₃(CH₂)₂COOH]₂CdCl₄ of Y-aminobutyric acid (GABA)

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Keywords

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