Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH3(CH2)2COOH]2CdCl4 of Y-aminobutyric acid (GABA)
Language
en
Article de revue
This item was published in
Chemical Physics Letters. 2018-06, vol. 702, p. 8-15
Elsevier
English 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 ...Read more >
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.Read less <
English Keywords
Differential Scanning Calorimeter (DSC)
X-ray diffraction
Crystal structure
Phase transition
DFT
Origin
Hal imported