| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9578202 | Chemical Physics Letters | 2005 | 4 Pages |
Abstract
The breaking of the very strong NO bond by the enzyme nitric oxide reductase has been explored using density functional theory calculations of a model cluster. A five-step mechanism is proposed. We find a novel mechanism for the formation of the N-N bond in N2O, involving the addition of NO to the intermediate Fe-N(H)OH, followed by a conformational change on a flat potential energy surface to give the strong N-N bond.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mark A. Vincent, Ian H. Hillier, Jun Ge,