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Thermal and structural properties, and molecular dynamics in organic–inorganic hybrid perovskite (C2H5NH3)2ZnCl4

机译:有机-无机杂化钙钛矿(C2H5NH3)2ZnCl4的热和结构性质以及分子动力学

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The thermal and structural properties and molecular dynamics of layered perovskite-type (C _(2) H _(5) NH _(3) ) _(2) ZnCl _(4) are investigated by differential scanning calorimetry, thermogravimetric analysis, and magic angle spinning nuclear magnetic resonance spectroscopy. The thermal properties and phase transitions are studied. Additionally, the Bloembergen–Purcell–Pound (BPP) curves for the ~(1) H spin–lattice relaxation time T _(1ρ) in the C _(2) H _(5) NH _(3) cation and for the ~(13) C T _(1ρ) in C _(2) H _(5) are shown to have minima as a function of inverse temperature. This observation implies that these curves represent the rotational motions of ~(1) H and ~(13) C in the C _(2) H _(5) NH _(3) cation. The activation energies for ~(1) H and ~(13) C in the C _(2) H _(5) NH _(3) cation are obtained; the molecular motion of ~(1) H is enhanced at the C-end and N-end of the organic cation, and that at the carbons of the main chain is not as free as that for protons at the C-end and N-end.
机译:通过差示扫描量热法,热重分析和魔角旋转核磁共振波谱。研究了热性质和相变。此外,在C _(2)H _(5)NH _(3)阳离子中〜(1)H自旋-晶格弛豫时间T _(1ρ)的Bloembergen–Purcell-Pound(BPP)曲线C_(2)H _(5)中的〜(13)CT _(1ρ)显示为反温度的最小值。该观察结果暗示,这些曲线表示C_(2)H_(5)NH _(3)阳离子中〜(1)H和〜(13)C的旋转运动。获得了C _(2)H _(5)NH _(3)阳离子中〜(1)H和〜(13)C的活化能; 〜(1)H的分子运动在有机阳离子的C端和N端得到增强,主链碳原子的运动不如C端和N-上的质子自由结束。

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