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

William M Reiff; Charles E Schulz; Myung-Hwan Whangbo; Jung In Seo; Yoon Sup Lee; Gregory R Potratz; Charles W Spicer; Gregory S Girolami

doi:10.1021/ja806660f

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

J Am Chem Soc. 2009 Jan 21;131(2):404-5. doi: 10.1021/ja806660f.

Authors

William M Reiff¹, Charles E Schulz, Myung-Hwan Whangbo, Jung In Seo, Yoon Sup Lee, Gregory R Potratz, Charles W Spicer, Gregory S Girolami

Affiliation

¹ Department of Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115, USA. w.reiff@neu.edu

PMID: 19113855
DOI: 10.1021/ja806660f

Abstract

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.