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Updated: Aug 11, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Electronic ménages a trois: a molecular orbital perspective of protonated ferryl intermediates and synthetic models
Jeanet Conradie1, Ingar Wasbotten, Abhik Ghosh
1Department of Chemistry, University of Tromsø, Breivika, N-9037 Tromsø, Norway.
Abstract:
Presented here is a molecular orbital perspective of various S=1 iron(IV)-hydroxo compound II intermediates as well as of synthetic heme and nonheme analogues. A key conceptual issue concerns how the iron(IV) center in these species coexists with highly reducing alkoxide, thiolate, phenolate, and hydroperoxide ligands. We suggest that a clue to this conundrum involves a three-way splitting of the spin density among the iron and two pi-basic ligands, which effectively delocalizes the high positive charge away from the iron.
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