Elucidating the coordination chemistry and mechanism of biological nitrogen fixation

被引：48

作者：

Dance, Ian ^{[1
]}

机构：

[1] Univ New S Wales, Sch Chem, Sydney, NSW 2052, Australia

来源：

CHEMISTRY-AN ASIAN JOURNAL | 2007年 / 2卷 / 08期

关键词：

allosterism; coordination chemistry; density functional calculations; nitrogen fixation; reaction mechanisms;

D O I：

10.1002/asia.200700131

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

How does the enzyme nitrogenase reduce the inert molecule N-2 to NH3 under ambient conditions that are so different from the energy-expensive conditions of the best industrial practices? This review focuses on recent theoretical investigations of the catalytic site, the iron-molybdenum cofactor FeMo-co, and the way in which it is hydrogenated by protons and electrons and then binds N-2. Density functional calculations provide reaction profiles and activation energies for possible mechanistic steps. This establishes a conceptual framework and the principles for the coordination chemistry of FeMo-co that are essential to the chemical mechanism of catalysis. The model advanced herein explains relevant experimental data.

引用

页码：936 / 946

页数：11

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