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Phys Chem Chem Phys. 2016 Nov 16;18(45):31125-31131.

Experimental and theoretical identification of the Fe(vii) oxidation state in FeO4.

Author information

1
Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China. junli@tsinghua.edu.cn.
2
Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China. mfzhou@fudan.edu.cn.

Abstract

The experimentally known highest oxidation state of iron has been determined to be Fe(vi) so far. Here we report a combined matrix-isolation infrared spectroscopic and theoretical study of two interconvertible iron oxide anions: a dioxoiron peroxide complex [(η2-O2)FeO2]- with a C2v-structure and a tetroxide FeO4- with a D2d tetrahedral structure, which are formed by co-condensation of laser-ablated iron atoms and electrons with O2/Ar mixtures at 4 K. Quantum chemistry theoretical studies indicate that the Jahn-Teller distorted tetroxide FeO4- anion is a d1 species with hereto the highest iron formal oxidation state Fe(vii).

PMID:
27812577
DOI:
10.1039/c6cp06753k

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