Fig. 6. Frontier molecular orbitals of 5a calculated at the M06-2X/def2-TZVPP//def2-SVP level of theory. The isovalue was arbitrarily chosen to be 0.04. Hydrogen atoms were omitted for clarity.
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.