A three states model for hydrogen abstraction reactions with the cytochrome P450 compound I is revisited. Isolobal and isospin analogy among Fe(IV)=O, O = O and O

Koichi Miyagawa a,*, Hiroshi Isobe b, Mitsuo Shoji c,d, Takashi Kawakami e, Shusuke Yamanaka e,f, Kizashi Yamaguchi a,f,*

Journal of Photochemistry and Photobiology A: Chemistry Volume 405, 15 January 2021, 112902


a The Institute for Scientific and Industrial Research, Osaka University, Ibaraki, Osaka, 567-0047, Japan

b Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530, Japan

c Center for Computational Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan

d JST-PRESTO, Kawaguchi, Saitama 332-0012, Japan

e Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan

f Division of Quantum Information and Quantum Biology (QIQB), Osaka University, Toyonaka, 560-0043, Japan