Figure 7.
Geometry-optimized density functional structures for 1, 3, 5, and 7 calculated at the B3LYP/6-311+G(2df,2p) level. Additional corresponding HOMO (top) and LUMO (bottom) for each analog, rendered using a 0.03 e–/au3 contour surface.
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.