Preparations of trans- and cis- μ-1,2-Peroxodiiron(III) Complexes

Yuji Kajita; Masaki Kubo; Hidekazu Arii; Shinya Ishikawa; Yamato Saito; Yuko Wasada-Tsutsui; Yasuhiro Funahashi; Tomohiro Ozawa; Hideki Masuda

doi:10.3390/molecules29010205

Preparations of trans- and cis- μ-1,2-Peroxodiiron(III) Complexes

Molecules. 2023 Dec 29;29(1):205. doi: 10.3390/molecules29010205.

Authors

Yuji Kajita¹, Masaki Kubo², Hidekazu Arii³, Shinya Ishikawa², Yamato Saito², Yuko Wasada-Tsutsui², Yasuhiro Funahashi⁴, Tomohiro Ozawa², Hideki Masuda^{1

2}

Affiliations

¹ Department of Applied Chemistry, Graduate School of Engineering, Aichi Institute of Technology, 1247 Yachigusa, Yakusa-cho, Toyota 470-0392, Japan.
² Department of Frontier Materials, Graduate School of Engineering, Nagoya Institute of Technology, Gokiso, Showa, Nagoya 466-8555, Japan.
³ Department of Education, Graduate School of Education, University of Miyazaki, Gakuenkibanadai-Nishi, Miyazaki 889-2192, Japan.
⁴ Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama, Toyonaka, Osaka 560-0043, Japan.

Abstract

The iron(II) complex with cis,cis-1,3,5-tris(benzylamino)cyclohexane (Bn₃CY) (1) has been synthesized and characterized, which reacted with dioxygen to form the peroxo complex 2 in acetone at -60 °C. On the basis of spectroscopic measurements for 2, it was confirmed that the peroxo complex 2 has a trans-μ-1,2 fashion. Additionally, the peroxo complex 2 was reacted with benzoate anion as a bridging agent to give a peroxo complex 3. The results of resonance Raman and ¹H-NMR studies supported that the peroxo complex 3 is a cis-μ-1,2-peroxodiiron(III) complex. These spectral features were interpreted by using DFT calculations.

Keywords: DFT calculation; X-ray crystal structure; cis-μ-1,2-peroxodiiron complex; resonance Raman spectrum; trans-μ-1,2-peroxodiiron complex.

Abstract

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