Control and Modulation of Photoinduced Charge Transfer in a Rigid Donor-Bridge-Acceptor System by Electric Fields.
J Phys Chem A
; 126(23): 3669-3679, 2022 Jun 16.
Article
em En
| MEDLINE
| ID: mdl-35650674
ABSTRACT
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.
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MEDLINE
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En
Ano de publicação:
2022
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Article