标题： 氰噻唑铜(I)配合物：具有优异光学和导电性能的未开发材料 显示英文标题

标题： Cyanothiazole Copper(I) Complexes: Uncharted Materials with Exceptional Optical and Conductive Properties

摘要： 氰噻唑类化合物是一类小分子且相当被忽视的化合物，它们具有可通过与过渡金属配位进行微调的出色光学性质。 在本研究中，我们探讨了氰噻唑类化合物的一个有前景的应用，其中它们与碘化亚铜结合形成了一类具有优异光学性质的新复合物。 碘化亚铜与异构氰噻唑的X射线晶体学研究揭示了关键的结构特征，如{\pi }-{\pi }堆叠、氢键以及罕见的卤素-类金属I-S相互作用，增强了稳定性和反应性。 先进的光谱学和计算建模使FTIR、NMR和UV-Vis光谱中的光谱特征得以精确识别。 荧光研究以及XANES同步辐射分析突显了它们独特的热学和电子性质，为该领域的进一步研究提供了坚实的基础。 显示英文摘要

摘要： Cyanothiazoles, small and quite overlooked molecules, possess remarkable optical properties that can be fine-tuned through coordination with transition metals. In this study, we investigate a promising application of cyanothiazoles, where their combination with copper(I) iodide forms a new class of complexes exhibiting outstanding optical properties. X-ray crystallography of copper(I) iodide complexes with isomeric cyanothiazoles revealed key structural features, such as {\pi}-{\pi} stacking, hydrogen bonding, and rare halogen-chalcogen I-S interactions, enhancing stability and reactivity. Advanced spectroscopy and computational modeling allowed precise identification of spectral signatures in FTIR, NMR, and UV-Vis spectra. Fluorescence studies, along with XANES synchrotron analyses, highlighted their unique thermal and electronic properties, providing a solid foundation for further research in the field.