Insight into Solvent Coordination of an Iron Porphyrin Hydroxylamine Complex from Spectroscopy and DFT Calculations

Authors

Md. Hafizur Rahman, Marquette UniversityFollow
Michael D. Ryan, Marquette UniversityFollow

Document Type

Article

Language

eng

Publication Date

4-2018

Publisher

Wiley

Source Publication

European Journal of Inorganic Chemistry

Source ISSN

0893-133X

Abstract

The reduction of Fe(OEP)(NO) in the presence of substituted phenols leads to a three‐electron reduction to form Fe(OEP)(NH₂OH), which has been characterized by visible spectroscopy and electron stoichiometry. In this work, we have further characterized this species using infrared and ¹H NMR spectroscopy, along with DFT calculations. The infrared bands in the 3400–3600 cm^–1 region, due to hydroxylamine, were significantly downshifted to the 2500–2700 cm^–1 region when 4‐[D₁]chlorophenol replaced the normal abundance acid. Using ¹H NMR spectroscopy, the hydroxylamine and the meso‐protons were identified. From DFT calculations, the ¹H NMR spectra were most consistent with a six‐coordinate complex, Fe(OEP)(NH₂OH)(THF).

Comments

Accepted version. European Journal of Inorganic Chemistry, No. 16 (April 30, 2018): 1762-1765. DOI. © 2018 Wiley. Used with permission.

Recommended Citation

Rahman, Md. Hafizur and Ryan, Michael D., "Insight into Solvent Coordination of an Iron Porphyrin Hydroxylamine Complex from Spectroscopy and DFT Calculations" (2018). Chemistry Faculty Research and Publications. 914.
https://epublications.marquette.edu/chem_fac/914