Skip to main content
. 2020 Nov 18;21(22):8716. doi: 10.3390/ijms21228716

Table 2.

Energy gaps (∆ESn−Tm eV) between the involved excited states calculated at the B3LYP/cc-pVDZ/M06/6−31G(d) levels of theory.

TPP ClTPP Cl2TPP TPPS Cl2TPPS TMPyP
∆ES1-T1 0.75 0.78 0.78 0.75 0.79 0.70
∆ES1-T2 0.52 0.49 0.47 0.51 0.48 0.43
∆ES3-T1 1.70 1.71 1.69 1.68 1.70 1.51
∆ES3-T2 1.47 1.42 1.39 1.44 1.40 1.24