Figure 9.
Qualitative MO scheme for 3-Na as derived from broken symmetry DFT calculations (B3LYP/ZORA). The Fe and formazanate (fz) content and spatial overlaps of the corresponding pairs of magnetic orbitals are given.
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.