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- Title
High-Spin Iron(I) and Iron(0) Dinitrogen Complexes Supported by N-Heterocyclic Carbene Ligands.
- Authors
Ouyang, Zhenwu; Cheng, Jun; Li, Lingling; Bao, Xiaoli; Deng, Liang
- Abstract
The use of 1,3-dicyclohexylimidazol-2-ylidene (ICy) as ligand has enabled the preparation of the high-spin tetrahedral iron(I)- and iron(0)-N2 complexes, namely [(ICy)3Fe(N2)][BPh4] ( 1) and [(ICy)3Fe(N2)] ( 2), the electronic structures of which have been established by various spectroscopic characterization and DFT calculations. The frequency of the N-N stretching resonance of the iron(0)-N2 complex is the lowest among the reported terminal N2 complexes of iron, signifying the beneficial roles of strongly σ-donating ligands in combination with the high-spin low-valent iron center in promoting N2-activation. The iron(0)-N2 complex can convert reversibly to the low-spin iron(II)-N2 hydride complex [(ICy)2(ICy′)Fe(N2)(H)] ( 4).
- Subjects
HETEROCYCLIC compounds; CARBENE derivatives; LIGANDS (Chemistry); IRON compounds; DISCRETE Fourier transforms; SPECTRUM analysis
- Publication
Chemistry - A European Journal, 2016, Vol 22, Issue 40, p14162
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.201603390