Two novel bipyrazole derivative ligands: Synthesis, crystal structure, theoretical studies, and sensitive response toward Fe3+

• Synthesis and characterizations of two novel dipyrazol derivatives are presented.
• Single crystals were grown, the structures were analyzed.
• Differences between the two ligands are researched.
• UV–vis absorption are investigated, and are proved by TD-DFT methods.
• The ligand displays an exclusively selective and sensitive response toward Fe3+.

Two novel bipyrazole derivative ligands L1 (4-(di(1H-pyrazol-1-yl)methyl)-N,N-diphenylaniline) and L2 (4-(di(1H-pyrazol-1-yl)methyl)-N,N-bis(4-ethoxy phenyl)aniline), were synthesized, and fully characterized. The crystal structures of the two ligands were confirmed by single-crystal X-ray diffraction analysis. The structural analysis revealed that two pyrazole units are attached to the same carbon atom connected with triphenylamine moiety. The UV–vis absorption and fluorescence spectral properties of the ligands were investigated and explained relying on theoretical calculation. Significantly, it was found that the ligands display an exclusively selective and sensitive response toward Fe3+ with aid of UV–vis absorption spectroscopic methods.

Two novel bipyrazole derivative ligands L1 (4-(di(1H-pyrazol-1-yl)methyl)-N,N-diphenylaniline) and L2 (4-(di(1H-pyrazol-1-yl)methyl)-N,N-bis(4-ethoxy phenyl)aniline), were synthesized, and fully characterized. For the existence of ether oxygen chains, L1 and L2 have certain different characters in terms of their different structures. However, it was found that L1 and L2 both exhibit exclusively selective and sensitive responses toward Fe3+ using UV–vis spectroscopy.Figure optionsDownload as PowerPoint slide