Crystal growth, phase transition, and nuclear magnetic resonance of organic–inorganic hybrid perovskite NH₂(CH₃)₂CdCl₃

Abstract

Spin-lattice relaxation times and correlation times for 1H in NH2(CH3)2CdCl3 as a function of inverse temperature, and blue dot line is represented the activation energy.

NH2(CH3)2CuCl3 Organic–Inorganic Hybrid Perovskite: Consideration to Crystal Structure, Thermodynamics, and Structural Molecular Dynamics

“…The changes in the intensity of the 1 H and 13 C NMR signals were recorded at a specific temperature, varying the delay times. The relationship with the decay rate of the magnetization was defined by the spin–lattice relaxation time, T 1ρ − P ( τ ) = A nobreak0em0.1em⁡ exp ( − τ / T 1 ρ ) In the eq , P (τ) represents the signal intensities at each delay time τ. One of them, the signals of the 13 C NMR for delay times in the range of 0.1–10 ms at 300 K are shown in Figure .…”

“…Based on Bloembergen-Purcell-Pound (BPP) theory, the experimental values of T 1ρ can be expressed by the correlation time τ C for reorientational motion, and T 1ρ for molecular motion as follows ,, .25ex2ex 1 / T 1 ρ = R false{ 4 τ C / [ 1 + ω 1 2 τ C 2 ] + τ C / [ 1 + ( ω normalC − ω normalH ) 2 τ C 2 ] + 3 τ C / [ 1 + ω C 2 τ C 2 ] + 6 τ C / [ 1 + ( ω normalC + ω normalH ) 2 τ C 2 ] + 6 τ C / [ 1 + ω H 2 τ C 2 ] false} = A ⁡ exp false( − E a / k …”

“…Data collection utilized the SMART APEX3 and SAINT programs, and absorption correction was carried out using the multiscan method in SADABS. The single-crystal structure was analyzed via direct methods and refined using least-squares on F 2 with the SHELXTL program. , Anisotropic refinement was performed for all non-hydrogen atoms, while hydrogen atoms were included at geometrically ideal positions. In addition, powder X-ray diffraction (PXRD) patterns were obtained at temperatures of 300, 350, 400, 450, and 500 K using an XRD spectrometer featuring a Mo–Kα radiation source.…”

“…Based on Bloembergen-Purcell-Pound (BPP) theory, the experimental values of T 1ρ can be expressed by the correlation time τ C for reorientational motion, and T 1ρ for molecular motion as follows 39,42,43 = {…”