Abstract
The electronic coupling in the electron transfer of the U-shaped anion model systems has been investigated in detail. Both the two-state model and Koopmans’ theorem are employed to evaluate the electronic coupling. It is found that the total coupling is dominated by the through-space coupling, and the presence of a bridge partially cancels the through-space coupling. In order to investigate the solvent effect that facilitates the electronic coupling through the low-lying excited state of the aromatic solvent, a benzene molecule is adopted to mimic the solvent molecule and related discussions have been made.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
