Spin-state ordering in hydroxo-bridged Diiron(III)bisporphyrin complexes
We report the synthesis, structure, and spectroscopic characterization of 1,2-bis[μ-hydroxo iron(III) 5-(2,3,7,8,12,13,17,18-octaethylporphyrinyl)]ethane with PF6- and SbF6- counteranions. The two iron centers are nonequivalent with admixed intermediate spin state (S = 3/2 with a minor contribution...
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| Hauptverfasser: | , , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
January 22, 2015
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| In: |
Inorganic chemistry
Year: 2015, Jahrgang: 54, Heft: 4, Pages: 1919-1930 |
| ISSN: | 1520-510X |
| DOI: | 10.1021/ic502803b |
| Online-Zugang: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1021/ic502803b
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| Verfasserangaben: | Mala A. Sainna, Debangsu Sil, Dipankar Sahoo, Bodo Martin, Sankar Prasad Rath, Peter Comba, and Sam P. de Visser |
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| 245 | 1 | 0 | |a Spin-state ordering in hydroxo-bridged Diiron(III)bisporphyrin complexes |c Mala A. Sainna, Debangsu Sil, Dipankar Sahoo, Bodo Martin, Sankar Prasad Rath, Peter Comba, and Sam P. de Visser |
| 264 | 1 | |c January 22, 2015 | |
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| 520 | |a We report the synthesis, structure, and spectroscopic characterization of 1,2-bis[μ-hydroxo iron(III) 5-(2,3,7,8,12,13,17,18-octaethylporphyrinyl)]ethane with PF6- and SbF6- counteranions. The two iron centers are nonequivalent with admixed intermediate spin state (S = 3/2 with a minor contribution of S = 5/2) on each metal both in the solid and in solution. The molecules are compared with previously known μ-hydroxo complexes with other counterions, such as I3-, BF4-, and ClO4-, which demonstrates that the nature of the counterion can affect the spin-state ordering dramatically. To understand how the spin-state ordering is affected by external perturbations, we also have done a comprehensive computational study. The calculations show that subtle environmental perturbations affect the spin-state ordering and relative energies and are likely to be the root cause of the variation in spin-state ordering observed experimentally. | ||
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