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

机译:广泛用来几乎没有人知道。 含甲脒碘化吲哚氰基和动态性质的洞察

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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 H-1 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:简单的有机晶体甲脒碘化物(FAI)似乎是宽温度范围内的新型半导体材料。 Fai的电性能及甲脒阳离子(FA(+))在固相转变的分子机制中的作用(345k(III - > II)和388k(II - > I))) 分析了。 在偏振显微镜下的观察结果证明了III和II阶段和II阶段的生成域结构。 此外,通过H-1 NMR(旋转晶格弛豫时间)和密度函数理论支持的振动光谱研究了偶极有机Fa(+)的分子布置。 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。 所有使用的技术表明,原型阶段I表现出塑料相的特征。

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  • 来源
    《RSC Advances》 |2018年第47期|共11页
  • 作者单位

    Univ Wroclaw Fac Chem F Joliot Curie 14 PL-50383 Wroclaw Poland;

    Univ Wroclaw Fac Chem F Joliot Curie 14 PL-50383 Wroclaw Poland;

    Univ Wroclaw Fac Chem F Joliot Curie 14 PL-50383 Wroclaw Poland;

    Univ Wroclaw Fac Chem F Joliot Curie 14 PL-50383 Wroclaw Poland;

    PAS Inst Low Temp &

    Struct Res Okolna 2 PL-50422 Wroclaw Poland;

    Polish Acad Sci Inst Mol Phys M Smoluchowskiego 17 PL-60179 Poznan Poland;

    Wroclaw Univ Sci &

    Technol Div Expt Phys Wybrzeze Wyspianskiego 27 PL-50370 Wroclaw Poland;

    Univ Wroclaw Fac Chem F Joliot Curie 14 PL-50383 Wroclaw Poland;

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  • 正文语种 eng
  • 中图分类 化学;
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