Dataset from the structural, spectral, thermal, electrochemical, photoluminescence and DFT studies of platinum(II) and rhenium(I) complexes with 4-phenylacetylene functionalized 2,6-bis(thiazol-2-yl)pyridine (BZ9)

This dataset contains data from the analyses published in the article entitled: “Acetylenic Substituent: Influence on the Structure, Electrochemical, Photophysical, and Thermal Properties of Rhenium(I) and Platinum(II) Complexes”, published in: Molecules 2025, 30(4), 915; https://doi.org/10.3390/molecules30040915. Received: 30 January 2025 / Accepted: 13 February2025 / First published: 16 February 2024. These data includes experimental data files of structural (SXRD), spectral (FT-IR, UV-Vis, NMR), thermal (TGA, DSC), electrochemical (CV) and photoluminescence studies, together with quantum mechanical calculations (input files for DFT and TD-DFT calculations) for platinum(II) and rhenium(I) complexes (PtBZ9 and ReBZ9) with 4-phenylacetylene functionalized 2,6-bis(thiazol-2-yl)pyridine (BZ9) prepared in the Institute of Chemistry, Faculty of Science and Technology, University of Silesia in Katowice, Katowice, Poland.