Predicting Dexter Energy Transfer Interactions from Molecular Orbital Overlaps

Published

Journal Article

Copyright © 2020 American Chemical Society. Dexter energy transfer (DET), also known as spin forbidden energy transfer (e.g., 3D1A → 1D3A), is undergoing a resurgence of interest because of its utility in energy science, photocatalysis, and biomedical imaging. The DET reactions enable exciton fission and fusion and have been recently used to facilitate nanoscale imaging of protein assemblies on cell surfaces. While DET and Förster energy transfer rates are often well described using Fermi's golden rule, the donor-acceptor couplings for DET may be bridge-state-mediated and depend on the electronic structure of and interactions among the donor, bridge, and acceptor. We provide a simple approach to approximate DET couplings using a product of molecular orbital overlap factors. This approach may be used to guide the design of DET systems with targeted energy-transfer kinetics.

Full Text

Duke Authors

Cited Authors

  • Bai, S; Zhang, P; Beratan, DN

Published Date

  • September 3, 2020

Published In

Volume / Issue

  • 124 / 35

Start / End Page

  • 18956 - 18960

Electronic International Standard Serial Number (EISSN)

  • 1932-7455

International Standard Serial Number (ISSN)

  • 1932-7447

Digital Object Identifier (DOI)

  • 10.1021/acs.jpcc.0c06694

Citation Source

  • Scopus