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Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn−Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N( t -Bu) 2 ] 2

2008; American Chemical Society; Volume: 131; Issue: 2 Linguagem: Inglês

10.1021/ja806660f

1943-2984

William M. Reiff, Charles E. Schulz, M.‐H. WHANGBO, Jung In Seo, Yoon Sup Lee, Gregory R. Potratz, Charles W. Spicer, Gregory S. Girolami,

Advanced NMR Techniques and Applications

Mossbauer, EPR, magnetic susceptibility, and DFT studies of the unusual two-coordinate iron(II) amide Fe[N(t-Bu)(2)](2) show that it retains a linear N-Fe-N framework due to the nonbonding delta nature of the (xy, x(2)-y(2)) orbitals. The resulting near-degenerate ground state gives rise to a large magnetic moment and a remarkably large internal hyperfine field. The results confirm that extraordinary orbital magnetic effects can arise in linear transition metal complexes in which orbital degeneracies are not broken by Jahn-Teller or Renner-Teller distortions.