1861-471X/asset/2451_left.gif?v=1&s=879804fa8b46cf0a7c9ada963b3a3d8b5e4c5a21)
1861-471X/asset/olbannercenter.gif?v=1&s=168589aa4ee06245869d9ebf5e050019ec1c9da7)
1861-471X/asset/2451_right.gif?v=1&s=7e39970753c72792f9c3045b7c65df3b29c1b6a0)
Focus Review
Elucidating the Coordination Chemistry and Mechanism of Biological Nitrogen Fixation
Article first published online: 5 JUL 2007
DOI: 10.1002/asia.200700131
Copyright © 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Dance, I. (2007), Elucidating the Coordination Chemistry and Mechanism of Biological Nitrogen Fixation. Chemistry – An Asian Journal, 2: 936–946. doi: 10.1002/asia.200700131
Publication History
- Issue published online: 24 JUL 2007
- Article first published online: 5 JUL 2007
- Manuscript Received: 16 APR 2007
Funded by
- The Australian Partnership for Advanced Computing
- University of New South Wales
- Abstract
- Article
- References
- Cited By
Keywords:
- allosterism;
- coordination chemistry;
- density functional calculations;
- nitrogen fixation;
- reaction mechanisms
Graphical Abstract
A howdunnit: Nitrogenase reduces N2 to NH3 under ambient conditions, but how it does so is still a mystery. Theoretical investigations into the catalytic site, the iron–molybdenum cofactor (shown), and intermediates with bound hydrogen and N2 are helping to provide insight into the mechanism of the catalysis.
Abstract
How does the enzyme nitrogenase reduce the inert molecule N2 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 N2. 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.