Dinitrogen Binding and Functionalization from a Low-Coordinate Alkynyliron Complex.
Inorg Chem
; 62(24): 9335-9342, 2023 Jun 19.
Article
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| ID: mdl-37294074
ABSTRACT
Alkynyl complexes of low-coordinate transition metals offer a sterically open environment and interesting bonding opportunities. Here, we explore the capacity of iron(I) alkynyl complexes to bind N2 and isolate a N2 complex including its X-ray crystal structure. Silylation of the N2 complex gives an isolable, formally iron(IV) complex with a disilylhydrazido(2-) ligand, but natural bond orbital analysis indicates that an iron(II) formulation is preferable. The structure of this compound is similar to an earlier reported phenyl complex in which phenyl migration forms a new N-C bond, but the alkynyl group does not migrate. DFT calculations are used to test the possible reasons why the alkynyl is resistant to migration, and these show that the large Fe-C bond energy in the alkynyl complex is a factor that could contribute to the lack of migration.
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MEDLINE
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En
Revista:
Inorg Chem
Año:
2023
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Article
País de afiliación:
Estados Unidos