Mononuclear and binuclear iron(III) complexes incorporating N₄O₃ coordinating heptadentate ligand: Synthesis, structure and magnetic properties

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• 作者：Reena Singh ; Coen de Graaf ; Enrique Colacio ; Kajal Krishna Rajak
• 关键词：Iron(III) ; Heptadentate ligand ; Structure ; Magnetic properties
• 刊名：Polyhedron
• 出版年：2008
• 出版时间：10 September 2008
• 年：2008
• 卷：27
• 期：13
• 页码：2751-2756
• 全文大小：551 K

文摘

The N₄O₃ coordinating heptadentate ligand afforded the mononuclear [Fe^III(HL)][BPh₄] (1) and binuclear [Fe₂^IIIL(OAc)₂][BPh₄] (2) complexes. In complex 1, the ligand binds in a trianionic N₂O₃ fashion whereas in the case of 2 the ligand binds in the trianionic N₄O₃ form in which the iron ions are held together by μ-phenoxo and bis μ-acetato bridges. In 1, the Fe(III) center has a trigonal bipyramidal geometry (τ = 0.84) whereas in 2 both the Fe(III) centers have a distorted octahedral geometry. Complex 2 shows an intramolecular weak antiferromagnetic interaction. Gas phase geometry optimizations have been performed using density functional theory without any symmetry constraints. The gas phase optimized structures agree well with the X-ray structure.