Determination by high-frequency and -field EPR of zero-field splitting in iron(IV) oxo complexes: Implications for intermediates in nonheme iron enzymes

Krzystek, J., England, Jason, Ray, K. , Ozarowski, A., Smirnov, D., Que Jr., L. and Telser, J. (2008) Determination by high-frequency and -field EPR of zero-field splitting in iron(IV) oxo complexes: Implications for intermediates in nonheme iron enzymes. Inorganic Chemistry, 47 (9). pp. 3483-3485. ISSN 0020-1669

Full content URL: https://doi.org/10.1021/ic800411c

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Item Type:Article
Item Status:Live Archive

Abstract

[FeIVO]2+ species have been implicated as the active form of many nonheme iron enzymes. The electronic structures of iron(IV) oxo complexes are thus of great interest. High-frequency and -field electron paramagnetic resonance is employed to determine accurately the spin Hamiltonian parameters of two stable complexes that contain the Fe═O unit: [FeO(TMC)(CH3CN)](CF3SO3)2, where TMC = tetramethylcyclam and [FeO(N4py)](CF3SO3)2, where N4Py = bis(2-pyridylmethyl)bis(2-pyridyl)methylamine. Both complexes exhibit zero-field splittings that are positive, almost perfectly axial, and of very large magnitude: D = +26.95(5) and +22.05(5) cm−1, respectively. These definitive experimental values can serve as the basis for further computational studies to unravel the electronic structures of such complexes.

Keywords:cyclamate sodium, enzyme, iron derivative, N4Py cpd, nonheme iron protein, pyridine derivative, article, chemistry, electron spin resonance, methodology, oxidation reduction reaction, Cyclamates, Electron Spin Resonance Spectroscopy, Enzymes, Iron Compounds, Nonheme Iron Proteins, Oxidation-Reduction, Pyridines
Subjects:F Physical Sciences > F170 Physical Chemistry
F Physical Sciences > F120 Inorganic Chemistry
Divisions:College of Science > School of Chemistry
ID Code:51932
Deposited On:19 Oct 2022 11:24

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