Molecular structures of Zn-pophyrin derivatives.
Electron distributions of the HOMO (left column) and the LUMO (right column) of all Zn-porphyrin derivatives. (A) DP-ZnP; (B) DP-ZnP-DA; (C) DP-ZnP-TDA; (D) DP-ZnP-2TDA; (E) DP-ZnP-TDAs; and (F) DP-ZnP-2TDAs.
Calculated one-photon absorption properties of the three low-lying singlet excited states at the level.
Absorption wavelengths ( and in micrometer), the transition dipole moment to the CT state , the dipole moments of the ground , and the CT states of the Zn-porphyrin derivatives calculated at the . The TPA cross section ( in GM) is calculated using the two-states model. All dipole moments are in the unit of Debye.
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