Investigation of the structure, phase transitions, molecular dynamics, and ferroelasticity of organic–inorganic hybrid NH(CH₃)₃CdCl₃crystals

Abstract

DSC curves and powder XRD patterns of NH(CH3)3CdCl3.

Exploring the Crystal Structure, Thermodynamics, and Molecular Dynamics of NH(CH3)3CuCl3·2H2O Organic–Inorganic Hybrid Perovskite

“…The correlation time (τ C ) for molecular motion is calculated using the coefficient and T 1ρ . τ C as a function of temperature is expressed by the Arrhenius equation: τ C = τ o exp(− E a / k B T ), 38 where E a denotes the activation energy of motion and k B denotes the Boltzmann constant. E a values of 31.39 ± 1.16 and 31.20 ± 3.66 kJ/mol for 1 H and 13 C, respectively, were obtained from the solid lines shown in Figure 8 .…”

“…The high activation energy barrier for molecular reorientation, inferred from the NMR T 1ρ values, was linked to the reorientation of methyl groups around the triple symmetry axis, primarily attributed to the reorientation of the overall NH(CH 3 ) 3 groups below T c . The results of CuCl 3 cations were compared with previously reported data for CdCl 3 cations (Table ). The single-crystal structures exhibited different monoclinic and orthorhombic properties for CuCl 3 and CdCl 3 , respectively, and the T d temperatures were considerably different at 329 and 522 K. In addition, the difference in 1 H and 13 C T 1ρ for CuCl 3 and CdCl 3 at 300 K is attributed to the influence of Cu 2+ paramagnetic ions.…”