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.
@article{arxiv.2502.20848,
title = {Cyanothiazole Copper(I) Complexes: Uncharted Materials with Exceptional Optical and Conductive Properties},
author = {Karolina Gutmańska and Agnieszka Podborska and Tomasz Mazur and Andrzej Sławek and Ramesh Sivasamy and Alexey Maximenko and Łukasz Orzeł and Janusz Oszajca and Grażyna Stochel and Konrad Szaciłowski and Anna Dołęga},
journal= {arXiv preprint arXiv:2502.20848},
year = {2025}
}