Analysis of the structures of the Cu(I) and Cu(II) complexes with 3-acetylpyridine and thiocyanate

3-Acetylpyridine thiosemicarbazone hydrochloride was synthesized and structurally characterized. Complexes of Cu(II) with this ligand could not be obtained by direct synthesis. By synthesis in situ mixing Cu(BF4)2·6H2O, 3-acetylpyridine (3-Acpy) and semicarbazide, a Cu(I) polymer, {[Cu(SCN)(3-Acpy)2]}n was obtained and structurally characterized. Reaction of Cu(BF4)2·6H2O, 3-acetylpyridine and ammonium thiocyanate afforded a dinuclear Cu(II) complex with two thiocyanate ions in bridges, which was structurally characterized. Magnetic measurements were performed for the dinuclear complex. DFT calculations provided explanation for inability to obtain a mononuclear complex.

Graphical abstract3-Acetylpyridine thiosemicarbazone hydrochloride was synthesized and structurally characterized. By synthesis in situ mixing Cu(BF4)2·6H2O, 3-acetylpyridine and semicarbazide, a Cu(I) polymer, {[Cu(SCN)2(3-Acpy)2]}n was obtained and structurally characterized. Reaction of Cu(BF4)2·6H2O, 3-acetylpyridine and ammonium thiocyanate afforded a dinuclear Cu(II) complex. Magnetic measurements were performed for the dinuclear complex.Figure optionsDownload full-size imageDownload as PowerPoint slide