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

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• 作者：Bo啪idar 膶obelji膰 ; Andrej Pevec ; Iztok Turel ; Vojislav Spasojevi膰 ; Milo拧 Mil膷i膰 ; Dragana Miti膰 ; Du拧an Sladi膰 ; Katarina An膽elkovi膰
• 关键词：Cu(I) and Cu(II) complexes ; 3-Acetylpyridine ; Thiocyanate ; DFT calculations ; Magnetic properties
• 刊名：Polyhedron
• 出版年：17 February, 2014
• 年：2014
• 卷：69
• 期：Complete
• 页码：77-83
• 全文大小：1341 K

文摘

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路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路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.