Synthesis, characterization and crystal structure determination of zinc (II) and mercury (II) complexes with 2,2′-dimethyl-4,4′-bithiazole

The 2,2′-dimethyl-4,4′-bithiazole ligand (1), (dm4bt), and its Zn and Hg complexes have been prepared. A conformational property calculation at the DFT level for the ligand shows the anti conformation is energetically more stable by about 22.83 kJ/mol and the rotational barrier is about 32.01 kJ/mol for the anti → syn conversion, a phenomena happening during complex formation. The complexes [Zn(dm4bt)Cl2] (2) and [Hg(dm4bt)Cl2] (3) have spectral properties typical for d10 metal diimine systems. The structures of the ligand and the two complexes have been determined by the single crystal diffraction method. The X-ray structure determinations show that both complexes are four coordinated by two chloride atoms and one bidentate dm4bt. In the Hg complex one of the two chlorides is set at a semi-bridging position.

Graphical abstractThe 2,2′-dimethyl-4,4′-bithiazole ligand, dm4bt, and its Zn and Hg complexes have been prepared. The X-ray structure determinations show that both complexes are four coordinated by two chlorine atoms and one bidentate 2,2′-dimethyl-4,4′-bithiazole ligand. In the Hg complex one of the two chlorides is set at a semi-bridging position.Figure optionsDownload full-size imageDownload as PowerPoint slide