A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 Complex
The triangular complex [Fe III3(μ 3-O) (μ-4-O 2N-C 3H 2N 2) 6Br 3] 2- has been characterized and studied by magnetic susceptibility measurements, 57Fe Mössbauer and electron paramagnetic resonance (EPR) spectroscopic methods. A combination of experimental and computational results has allowed the di...
| Main Authors: | , , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2012
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| _version_ | 1826266707605323776 |
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| author | Sameera, W Pinero, D Herchel, R Sanakis, Y McGrady, J Raptis, R Zueva, E |
| author_facet | Sameera, W Pinero, D Herchel, R Sanakis, Y McGrady, J Raptis, R Zueva, E |
| author_sort | Sameera, W |
| collection | OXFORD |
| description | The triangular complex [Fe III3(μ 3-O) (μ-4-O 2N-C 3H 2N 2) 6Br 3] 2- has been characterized and studied by magnetic susceptibility measurements, 57Fe Mössbauer and electron paramagnetic resonance (EPR) spectroscopic methods. A combination of experimental and computational results has allowed the differentiation between two sets of acceptable isotropic exchange constants. The magnetic exchange within this complex has been modelled by a spin Hamiltonian involving antiferromagnetic exchange constants of average value J av = -81.4 cm -1 and an antisymmetric exchange |d z| = 1.40 cm -1. Pyrazolato bridges have both a structural role and a non-negligible participation in magnetic exchange in trinuclear oxido-iron complexes Copyright © 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim. |
| first_indexed | 2024-03-06T20:43:03Z |
| format | Journal article |
| id | oxford-uuid:34e766ec-95a6-4343-855c-53229be5edec |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T20:43:03Z |
| publishDate | 2012 |
| record_format | dspace |
| spelling | oxford-uuid:34e766ec-95a6-4343-855c-53229be5edec2022-03-26T13:29:00ZA Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 ComplexJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:34e766ec-95a6-4343-855c-53229be5edecEnglishSymplectic Elements at Oxford2012Sameera, WPinero, DHerchel, RSanakis, YMcGrady, JRaptis, RZueva, EThe triangular complex [Fe III3(μ 3-O) (μ-4-O 2N-C 3H 2N 2) 6Br 3] 2- has been characterized and studied by magnetic susceptibility measurements, 57Fe Mössbauer and electron paramagnetic resonance (EPR) spectroscopic methods. A combination of experimental and computational results has allowed the differentiation between two sets of acceptable isotropic exchange constants. The magnetic exchange within this complex has been modelled by a spin Hamiltonian involving antiferromagnetic exchange constants of average value J av = -81.4 cm -1 and an antisymmetric exchange |d z| = 1.40 cm -1. Pyrazolato bridges have both a structural role and a non-negligible participation in magnetic exchange in trinuclear oxido-iron complexes Copyright © 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim. |
| spellingShingle | Sameera, W Pinero, D Herchel, R Sanakis, Y McGrady, J Raptis, R Zueva, E A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 Complex |
| title | A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 Complex |
| title_full | A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 Complex |
| title_fullStr | A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 Complex |
| title_full_unstemmed | A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 Complex |
| title_short | A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (mu 3-O)-Pyrazolato-FeIII3 Complex |
| title_sort | combined experimental and computational study of the magnetic superexchange within a triangular mu 3 o pyrazolato feiii3 complex |
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