Nitric oxide coupling mediated by iron porphyrins: the N-N bond formation step is facilitated by electrons and a proton

被引：14

作者：

Yi, Jun ^{[1
]}

Morrow, Brian H. ^{[1
]}

Campbell, Adam L. O. C. ^{[1
]}

Shen, Jana K. ^{[1
]}

Richter-Addo, George B. ^{[1
]}

机构：

[1] Univ Oklahoma, Dept Chem & Biochem, Norman, OK 73019 USA

来源：

CHEMICAL COMMUNICATIONS | 2012年 / 48卷 / 72期

基金：

美国国家科学基金会;

关键词：

STRUCTURAL BASIS; N2O GENERATION; REDUCTASE; MECHANISM; (NO)(2);

D O I：

10.1039/c2cc34655a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The coupling of two NO molecules catalyzed by iron porphyrins is of biological importance. We use density functional theory calculations to examine the factors that control the fundamental N-N bond formation step mediated by a single iron porphyrin. The presence of an axial Im ligand, extra electrons, and most importantly a proton, enhance the N-N bond formation step in our model.

引用

页码：9041 / 9043

页数：3

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