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Widely used hardly known. An insight into electric and dynamic properties of formamidinium iodide

机译：广泛使用鲜为人知。碘化甲酰胺的电和动态性质的见解

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摘要

The simple organic crystal formamidinium iodide ( FAI ) appeared to be a novel semiconducting material in a wide temperature range. The electric properties of FAI and the role of formamidinium cation (FA ~(+) ) in the molecular mechanism of the solid-to-solid phase transitions (at 345 K (III → II) and 388 K (II → I)) were analysed. The creation of the ferroelastic domain structure in phases III and II was proved on the basis of observation under a polarizing microscope. Moreover, the molecular arrangement of dipolar organic FA ~(+) was studied by ~(1) H NMR (spin-lattice relaxation time) and vibrational spectroscopy supported by density functional theory. The theoretical results show a good agreement with the experimental data. The infrared spectrum in a harmonic approximation was calculated and a comparative vibrational analysis was performed. All used techniques showed that the prototypic phase I exhibits the feature of plastic phase.
机译：简单的有机晶体碘化甲酰胺（FAI）似乎是在宽温度范围内的新型半导体材料。 FAI的电学性质和甲ami阳离子（FA〜（+））在固-固相变的分子机理中的作用（在345 K（III→II）和388 K（II→I）时）为分析。根据在偏光显微镜下的观察，证明了在阶段III和阶段II中形成了铁弹性畴结构。此外，通过〜（1）1 H NMR（自旋晶格弛豫时间）和密度泛函理论支持的振动光谱研究了偶极有机FA〜（+）的分子排列。理论结果与实验数据吻合良好。计算谐波近似的红外光谱，并进行比较振动分析。所有使用的技术都表明原型阶段I具有可塑性阶段的特征。

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