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arXiv · 2502.20848

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

Karolina Gutmańska·Agnieszka Podborska·Tomasz Mazur·Andrzej Sławek·Ramesh Sivasamy·Alexey Maximenko·Łukasz Orzeł·Janusz Oszajca·Grażyna Stochel·Konrad Szaciłowski·Anna Dołęga
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Abstract

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.

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Karolina Gutmańska, Agnieszka Podborska, Tomasz Mazur, Andrzej Sławek, Ramesh Sivasamy, Alexey Maximenko, Łukasz Orzeł, Janusz Oszajca, Grażyna Stochel, Konrad Szaciłowski, Anna Dołęga. 2025-02-28. Cyanothiazole Copper(I) Complexes: Uncharted Materials with Exceptional Optical and Conductive Properties. https://arxiv.org/abs/2502.20848

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