EXTENDED HUCKEL STUDY ON OXYGEN INSERTION INTO THE AROMATIC RING BY MODEL COMPLEXES FOR CATECHOL DIOXYGENASES

被引：12

作者：

FUNABIKI, T ^{[1
]}

INOUE, T ^{[1
]}

KOJIMA, H ^{[1
]}

KONISHI, T ^{[1
]}

TANAKA, T ^{[1
]}

YOSHIDA, S ^{[1
]}

机构：

[1] KYOTO UNIV,FAC ENGN,DIV MOLEC ENGN,KYOTO 606,JAPAN

来源：

JOURNAL OF MOLECULAR CATALYSIS | 1990年 / 59卷 / 03期

关键词：

D O I：

10.1016/0304-5102(90)85108-T

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Extended-Hückel calculations have been performed for the mono- and bidentate catecholato-iron complexes and the O2 adduct on the iron center of a semiquinonato-iron complex. The calculations have supported the formation of a semiquinonato-iron complex as a probable intermediate. The mode of attack of O2 on the semiquinonato-iron complex is discussed. © 1990.

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页码：367 / 371

页数：5

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