Send to

Choose Destination
See comment in PubMed Commons below
J Am Chem Soc. 2008 Aug 13;130(32):10515-7. doi: 10.1021/ja8027372. Epub 2008 Jul 17.

Structural and spectroscopic characterization of an electrophilic iron nitrido complex.

Author information

  • 1Department of Chemistry and Biochemistry, New Mexico State University, Las Cruces, New Mexico 88003, USA.


We have isolated and structurally characterized a terminal iron nitrido complex supported by a bulky tris(carbene)borate ligand. The electronic structure of this complex reveals that the a1 LUMO (formerly Fe(dz2)) is strongly stabilized by reduced antibonding interactions with the carbene sigma-donor ligands and configurational mixing (hybridization) with higher lying Fe 4s and 4p atomic orbitals. This unusual bonding interaction results in a low-lying Fe nitrido acceptor orbital (LUMO) that possesses electrophilic character. Reaction with PPh3 results in nitrogen atom transfer to the phosphine, supporting a reaction mechanism involving nucleophilic attack of the triphenylphosphine HOMO at the electrophilic LUMO of the iron nitrido complex.

[PubMed - indexed for MEDLINE]
PubMed Commons home

PubMed Commons

How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for American Chemical Society
    Loading ...
    Write to the Help Desk