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.
Linear correlation between the experimentally determined and DFT predicted 1H-NMR shifts of [FeIV(O)(N2Py2Q)]2+, 2 and 3. Solid lines show best fits for the calculated values with experimental data in S = 1 (for [FeIV(O)(N2Py2Q)]2+) or S = 2 (complexes 2 and 3) configurations, while dashed lines show poor fits for experimental data in the other spin state configuration.
