Charge-Separation and Charge-Recombination Rate Constants in a Donor-Acceptor Buckybowl-Based Supramolecular Complex: Multistate and Solvent Effects.

ABSTRACT: The kinetics of the nonradiative photoinduced processes (charge-separation and charge-recombination) experimented in solution by a supramolecular complex formed by an electron-donating bowl-shaped truxene-tetrathiafulvalene (truxTTF) derivative and an electron-accepting fullerene fragment (hemifullerene, C₃₀H₁₂) has been theoretically investigated. The truxTTF·C₃₀H₁₂ heterodimer shows a complex decay mechanism after photoexcitation with the participation of several low-lying excited states of different nature (local and charge-transfer excitations) all close in energy. In this scenario, the absolute rate constants for all of the plausible charge-separation (CS) and charge-recombination (CR) channels have been successfully estimated using the Marc

SUBMITTER: Cerda J 

PROVIDER: S-EPMC8630798 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature