Control and Modulation of Photoinduced Charge Transfer in a Rigid Donor-Bridge-Acceptor System by Electric Fields

This article theoretically studies the photoinduced charge transfer (CT) of rigid D-B-A molecules in two-photon absorption (TPA) adjusted by the external electric fields. Using a visualization method, the dynamic changes of light-induced CT in different channels of TPA are presented through a two-dimensional (2D) transition density matrix and a three-dimensional (3D) charge different density. Here, we prove the controllability of TPA on CT under the induction of a strong electric field. Adjusting the field direction and intensity significantly affects the position of the strong absorption peak in the TPA spectra, thereby further changing the electron-hole coherence length and the degree of dispersion. Our results can promote the recognition of the optical properties of the D-B-A system in synthetic molecules and provide an idea for increasing the proportion of excited states for CT in the molecule.

Automated summary

This article theoretically studies the photoinduced charge transfer of rigid D-B-A molecules in two-photon absorption adjusted by the external electric fields. The results demonstrate that adjusting the field direction and intensity significantly affects the position of the absorption peak, thereby changing the electron-hole coherence length and degree of dispersion.