Skip to main content
. 2019 Apr 5;10(8):2017–2022. doi: 10.1021/acs.jpclett.9b00623

Table 1. NICS(0)iso and NICS(0)zz (all units ppm) at the Centers of Porphyrin Nanorings in Their S0 and T1 States at the B3LYP/6-31G* Level of Theory.

  S0 ground state
T1 excited state
  iso zz iso zz
c-P5 –2.5 –0.1 1.6 10.3
c-P6 –1.4 1.1 –5.4 –12.2
c-P7 –1.2 0.5 0.4 2.1
c-P8 –0.9 0.5 –1.3 –1.5