Experimental and theoretical studies of the porphyrin ligand effect on the electronic structure and reactivity of oxoiron(iv) porphyrin &#960;-cation-radical complexes.

Ishimizu, Yuri; Ma, Zhifeng; Hada, Masahiko; Fujii, Hiroshi

Experimental and theoretical studies of the porphyrin ligand effect on the electronic structure and reactivity of oxoiron(iv) porphyrin π-cation-radical complexes.

Ishimizu, Yuri; Ma, Zhifeng; Hada, Masahiko; Fujii, Hiroshi.

Afiliação

Ishimizu Y; Department of Chemistry, Graduate School of Humanities and Sciences, Nara Women's University, Kitauoyanishi, Nara, 630-8506, Japan.
Ma Z; Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, 1-1 Minamiosawa, Hachioji, 192-0397, Japan.
Hada M; Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, 1-1 Minamiosawa, Hachioji, 192-0397, Japan.
Fujii H; Department of Chemistry, Graduate School of Humanities and Sciences, Nara Women's University, Kitauoyanishi, Nara, 630-8506, Japan. fujii@cc.nara-wu.ac.jp.

J Biol Inorg Chem ; 24(4): 483-494, 2019 06.

Article em En | MEDLINE | ID: mdl-31115764

Assuntos

Elétrons; Ferro/química; Porfirinas/química; Teoria da Densidade Funcional; Transporte de Elétrons; Ligantes; Modelos Moleculares; Conformação Molecular; Termodinâmica

Palavras-chave

Compound I; Electronic structure; Heme; Porphyrin π-cation radical; Reactivity

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Porfirinas / Elétrons / Ferro Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2019 Tipo de documento: Article

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