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.
(a) NICS(0)iso for c-P5 in its T1 excited state; (b) spin density distribution for c-P5 in its T1 excited state, in the same orientation, both calculated at the B3LYP/6-31G* level of theory. Arrows in part (a) use the same convention as in Figure 2: red arrows correspond to antiaromatic (paratropic) ring currents; blue arrows to aromatic (diatropic). The porphyrin bearing the most spin density (calc. 1.26 spins) has a mildly antiaromatic local ring current.
