Phase transitions, optical and electronic properties of the layered perovskite hybrid [NH3(CH2)2COOH]2CdCl4 of Y-aminobutyric acid (GABA)
Idioma
en
Article de revue
Este ítem está publicado en
Chemical Physics Letters. 2018-06, vol. 702, p. 8-15
Elsevier
Resumen en inglés
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 ...Leer más >
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.< Leer menos
Palabras clave en inglés
Differential Scanning Calorimeter (DSC)
X-ray diffraction
Crystal structure
Phase transition
DFT
Orígen
Importado de HalCentros de investigación