| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 171201 | Comptes Rendus Chimie | 2010 | 6 Pages |
Abstract
A predictive reactivity of Cp2An(IV)Me2 (with An = uranium [U], neptunium [Np] and plutonium [Pu]) with pyridine N-oxide has been studied at the theoretical level. The predictive reaction, which consists in the formation of a formaldehyde complex, begins after the initial formation of a cyclometalated complex produced by a C-H activation of the pyridine N-oxide. A difference of reactivity between U/Pu and Np has been observed and has been attributed to the presence of a more covalent bond between Np and the carbene group in the transition state of formation of a transient carbene intermediate.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Ludovic Castro, Ahmed Yahia, Laurent Maron,