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.
Superimposed structures of the doubly protonated species, [tH-(FeIIFeII)adt-H]2+, illustrating the better agreement between the crystal structure and the optimized geometries when BF4– ions are included in the calculations. The phenyl groups have been removed, and the FeH···HN interaction is circled for clarity. Color Scheme: crystal structure (gray) and optimized geometry with no BF4– (red), one BF4– (blue), and two BF4– (green) counterions.
