Mononuclear and binuclear iron(III) complexes incorporating N4O3 coordinating heptadentate ligand: Synthesis,structure and magnetic properties |
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| Authors: | Reena Singh Coen de Graaf Enrique Colacio Kajal Krishna Rajak |
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| Affiliation: | 1. Inorganic Chemistry Section, Department of Chemistry, Jadavpur University, Raja S. C. Mullick Road, Kolkata, West Bengal 700 032, India;2. Department de Química Física ? Inorgànica, Universitat Rovira ? Virgili, Maecel-lí Domingo s/n, 43007 Tarrangona, Spain;3. Departamento de Química Inorgánica, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain |
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| Abstract: | The N4O3 coordinating heptadentate ligand afforded the mononuclear [FeIII(HL)][BPh4] (1) and binuclear [Fe2IIIL(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. |
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| Keywords: | Iron(III) Heptadentate ligand Structure Magnetic properties |
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