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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >The lone-pair-electron-driven phase transition and order-disorder processes in thermochromic (2-MIm) SbI4 organic-inorganic hybrid
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The lone-pair-electron-driven phase transition and order-disorder processes in thermochromic (2-MIm) SbI4 organic-inorganic hybrid

机译：热致变色（2-MIM）SBI4有机无机杂种中的孤立对电子驱动的相变性和订单紊乱工艺

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摘要

The easy to prepare and stable in air (2-methylimidazolium) tetraiodoantimoniate(III) single-crystals with optical band gap of 2.17(1) eV at room temperature have been synthesized. The crystal structure features one-dimensional [SbI4](-)(n) anionic chains, which are intercepted with stacks of 2MIm(+) ions. At 294/295 K, it undergoes a structural phase transition to an incommensurately modulated phase as a result of subtle, lone-pair-electron-driven distortions of the anions. Separately from the anion displacements, the ordering of 2MIm(+) countercations takes place over a wide temperature range of the modulated phase. The disorder changes from dynamic to static around 200 K, which affects the crystal structure leading to discontinuities and step-like contraction of the lattice parameters. The material is thermochromic with prominent color changes, from raspberry to yellow at low temperatures. The calculated electronic structures and observed optical properties signify its semiconducting character.
机译：已经合成了在室温下的光带隙的空气（2-甲基咪唑鎓）四碘酰亚胺（III）单晶的易于制备和稳定，在室温下为2.17（1 )EV。晶体结构具有一维的[Sbi4]（ - ）（n）阴离子链，其截取的2mim（+）离子堆叠。在294/295 k，它经历了一种结构相位过渡，由于细微的阴离子的微妙，孤立电子驱动的扭曲而导致了对均匀的调制阶段。与阴离子位移分开，2MIM（+）反应的排序在调制阶段的宽温度范围内进行。该疾病从动态变为静态约200 k，这影响了导致晶格参数的不连续性和阶梯状收缩的晶体结构。该材料是突出的颜色变化的热致变色，从覆盆子到低温下黄色。计算的电子结构和观察到的光学性质意味着其半导体特征。

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