October 16, 2020

Science, 2020, 370, 356-359

DOI: 10.1126/science.abd3054

Bulky bis(carbene) borate ligands can stabilize high-valent iron (+4 oxidation state and higher) and form complexes with multiple metal-ligand bonds that have potential applications in catalysis. Researchers from Indiana University reported the first crystal structure of a stable Fe(VI) bis(imido) complex. They also structurally and spectroscopically characterized several four-coordinate Fe(V) and Fe(VI) bis(imido) complexes in seesaw geometry. Calculations on their electronic structures were performed in order to elucidate the reasons of the uncommon seesaw geometry. These findings provide the basis for the design of new high valent iron complexes.

Jorge L. Martinez1, Sean A. Lutz1, Hao Yang2, Jiaze Xie3, Joshua Telser4, Brian M. Hoffman2, Veronica Carta1, Maren Pink1, Yaroslav Losovyj1, Jeremy M. Smith1*

1 Department of Chemistry, Indiana University, Bloomington, IN 47405, USA

2 Department of Chemistry, Northwestern University, Evanston, IL 60208, USA

3 Department of Chemistry, University of Chicago, Chicago, IL 60637, USA

4 Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL 60605, USA

*Corresponding author. Email: smith962@indiana.