Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1339976 | Polyhedron | 2009 | 9 Pages |
Abstract
The broken-symmetry (BS) and multideterminant approaches to atomic oxygen (O), molecular oxygen (O2) and iron-oxo (Fe(IV)O) core in P450 have elucidated electronic structures of the ground triplet and excited singlet states, which indicate isoelectronic characteristics of the species. This isolobal analogy has indeed enabled us to propose possible reaction mechanisms of oxygenation reactions by the Fe(IV)O species on the basis of available theoretical and experimental results for O and O2.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Kizashi Yamaguchi, Mitsuo Shoji, Hiroshi Isobe, Syusuke Yamanaka, Jiro Shimada, Yasutaka Kitagawa, Mitsutaka Okumura,