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- W2158609928 abstract "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." @default.
- W2158609928 created "2016-06-24" @default.
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- W2158609928 date "2015-01-22" @default.
- W2158609928 modified "2023-09-30" @default.
- W2158609928 title "Spin-State Ordering in Hydroxo-Bridged Diiron(III)bisporphyrin Complexes" @default.
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- W2158609928 doi "https://doi.org/10.1021/ic502803b" @default.
- W2158609928 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25610949" @default.
- W2158609928 hasPublicationYear "2015" @default.
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