Journal article

Authors list: Schaub, S; Miska, A; Becker, J; Zahn, S; Mollenhauer, D; Sakshath, S; Schünemann, V; Schindler, S

Publication year: 2018

Pages: 5355-5358

Journal: Angewandte Chemie International Edition

Volume number: 57

Issue number: 19

DOI Link: https://doi.org/10.1002/anie.201800475

Publisher: Wiley

Abstract: 

The iron(IV) oxido complex [(tmc)Fe=O(OTf)]OTf with the macrocyclic ligand 1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclo‐tetradecane (tmc) has been synthesized using ozone as an oxidant. By adding water to this compound the complex [(H₂O)(tmc)Fe=O)](OTf)₂ could be prepared. This complex is important in regard to a better understanding of the reactivity of Fe^IV oxido complexes. Mössbauer measurements using the solid compound showed an isomer shift of δ=0.19 mm s⁻¹ and a quadrupole splitting ΔE_Q=1.38 mm s⁻¹, confirming the high‐valent Fe^IV state. DFT calculations were performed and led to an assignment of triplet spin multiplicity. Crystallographic characterization of [(H₂O)(tmc)Fe=O)](OTf)₂ as well as of starting materials [(tmc)Fe(CH₃CN)](OTf)₂ and [(tmc)Fe(OTf)]OTf together with previous results strongly suggest that [(H₂O)(tmc)Fe=O)](OTf)₂ was formed similar to the oxido–hydroxido tautomerism analogous to heme systems.

Harvard Citation style: Schaub, S., Miska, A., Becker, J., Zahn, S., Mollenhauer, D., Sakshath, S., et al. (2018) Synthesis of an Iron(IV) Aqua-Oxido Complex Using Ozone as an Oxidant, Angewandte Chemie International Edition, 57(19), pp. 5355-5358. https://doi.org/10.1002/anie.201800475

APA Citation style: Schaub, S., Miska, A., Becker, J., Zahn, S., Mollenhauer, D., Sakshath, S., Schünemann, V., & Schindler, S. (2018). Synthesis of an Iron(IV) Aqua-Oxido Complex Using Ozone as an Oxidant. Angewandte Chemie International Edition. 57(19), 5355-5358. https://doi.org/10.1002/anie.201800475