A new C, C-linked functionalized bipyrazole: synthesis, crystal structure, spectroscopies and DFT studies. Evaluation of the antibacterial activity and catalytic properties.
Résumé
The synthesis of new C,C-linked functionalized bipyrazole is reported. Its molecular structure has been confirmed by spectroscopic and spectrometric methods and its single crystal structure determined by X-ray analysis. The ligand 2 has been subjected to DFT and TD-DFT theoretical calculations and results are consistent with the experimental chemical analyses. The compound possesses no antibacterial activity up to 256 g/mL. However, its complexes with copper(II) salts are found to be good catalysts for the oxidation of 3,5-di-tert-butylcatechol (DTBC) into 3,5-di-tert-butylquinone (DTBQ) with a rate varying from 9.58 μmol• L-1• min-1 for the 2-[Cu(MeCO2)2] complex to 5.27 μmol• L-1• min-1 for the 2-[Cu(BF4)2] complex.
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