Issue 62, 2015
From the journal:

Chemical Communications

A cryo-generated ferrous–superoxo porphyrin: EPR, resonance Raman and DFT studies†

Takehiro Ohta,*ab   Jin-Gang Liu,*bc   Perumandla Nagaraju,b   Takashi Oguraa  and  Yoshinori Naruta*bd  

* Corresponding authors

a Picobiology Institute, Graduate School of Life Science, University of Hyogo, Hyogo 679-5148, Japan
E-mail: takehiro@sci.u-hyogo.ac.jp

b Institute for Materials Chemistry and Engineering, Kyushu University, Fukuoka 812-8581, Japan

c Department of Chemistry, East China University of Science and Technology, 200237 Shanghai, China
E-mail: liujingang@ecust.edu.cn

d Institute of Science and Technology Research, Chubu University, Kasugai, Aichi 487-8501, Japan
E-mail: naruta@isc.chubu.ac.jp

Abstract

The resonance Raman analysis of cryo-generated ferrous–superoxy heme has been performed for the first time, and its structure and the reaction mechanism are rationalized by DFT calculations. The presence of another electronic tautomer of ferrous–superoxy heme is predicted computationally.

Graphical abstract: A cryo-generated ferrous–superoxo porphyrin: EPR, resonance Raman and DFT studies

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Article information

DOI
https://doi.org/10.1039/C5CC03520A
Article type
Communication
Submitted
28 Apr 2015
Accepted
19 Jun 2015
First published
23 Jun 2015

Chem. Commun., 2015,51, 12407-12410

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A cryo-generated ferrous–superoxo porphyrin: EPR, resonance Raman and DFT studies

T. Ohta, J. Liu, P. Nagaraju, T. Ogura and Y. Naruta, Chem. Commun., 2015, 51, 12407 DOI: 10.1039/C5CC03520A

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