The intriguing properties of triiodide organic salts ([(C₆H₅)₃AsO]₂H⁺I₃⁻, (C₆H₅CH₂)₃NH⁺I₃⁻ ⋅C₆H₅CH₃, and [(C₆H₅CH₂)₃NO]₂H⁺I₃⁻) have been analyzed in detail using experimental and theoretical techniques. The analysis of crystal structures, density of states distribution and photocurrent generation of this purely ionic materials indicates insulating character of the ground state, whereas semiconducting character in higher excited states is observed. These peculiar properties of the studied compounds are the consequence of a specific electronic structure: very flat dispersion diagrams of the valence and conduction band and highly dispersive character on the higher conduction band. Weak triiodide‐triiodide interactions play the key role in the visible absorption range of these salts, while the charge transfer involving high energy carbon‐centered states is responsible for photocurrent generation. The complexity of the electrochemical reactions and the interactions of the I₃⁻ anion with light, solubility in organic solvents and the simplicity of preparation make these materials interesting candidates for application in unconventional optoelectronic devices.

中文翻译：

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三碘化物有机盐：在绝缘体和半导体之间的边界处的光电化学

三碘化物的有机盐的错综复杂的性质（[（C ₆ H ^ ₅）₃ ASO] ₂ ħ ⁺我₃ ^- ，（C ₆ H ^ ₅ CH ₂）₃ NH ⁺我₃ ^- ⋅C ₆ ħ ₅ CH ₃，和[（ C ₆ H ₅ CH ₂）₃ NO] ₂ H ⁺ I ₃ ⁻）已使用实验和理论技术进行了详细分析。对这种纯离子材料的晶体结构，态分布密度和光电流产生的分析表明，基态具有绝缘特性，而在高激发态下则观察到半导体特性。所研究化合物的这些特殊特性是特定电子结构的结果：化合价和导带非常平坦的分散图，在较高的导带上具有高度分散的特性。在这些盐的可见吸收范围内，弱的三碘化物-三碘化物相互作用起关键作用，而涉及高能碳中心态的电荷转移则负责光电流的产生。电化学反应的复杂性和I的相互作用₃ ^-阴离子配光，在有机溶剂中的溶解性和制剂的简单性使这些材料在非常规的光电器件应用有趣的候选者。