Star-Shaped Ferrocene-Based 1,4-Disubstituted-1,2,3-Triazole Derivatives: Synthesis, Characterization, and Investigation of Linear Optical and Electrochemical Properties

In this study, the star-shaped ferrocene-based 1,4-disubstituted-1,2,3-triazole derivatives were designed and synthesizedviaHuisgen reaction. For this purpose, the [3 + 2] cycloaddition reaction between multi-(4-azidobutyl) substituted ferrocene derivatives and ethynylferrocene was carried out in the presence of CuSO4.5H(2)O as Cu (I) source and ascorbic acid as reluctant for convert the Cu (II) to Cu (I). The optical and electrochemical properties of the final dendrimer-like ferrocenyl derivatives were evaluated using UV-vis spectroscopy (UV-vis) and cyclic voltammetry (CV) techniques, respectively. The linear relationship between the cathodic and anodic peak currents and the square root of the scan rate was indicated the diffusion-limited mechanism for the redox process. Furthermore, ferrocene-based 1,4-disubstituted-1,2,3-triazole derivatives show good electrochemical behavior (the CV and DPV technique) when immobilized on glassy carbon electrode surface using Nafion. In addition, the quantum chemistry study was performed on the synthesized compounds with the DFT approach. The B3LYP/6-31G(d) method was applied to do TD-DFT calculations due to its good agreement with experimental data for prediction of UV-Vis spectra.