Spin selective charge recombination in chiral donor–bridge–acceptor triads

Author:

Fay Thomas P.1ORCID,Limmer David T.1234ORCID

Affiliation:

1. Department of Chemistry, University of California 1 , Berkeley, California 94720, USA

2. Kavli Energy Nanoscience Institute at Berkeley 2 , Berkeley, California 94720, USA

3. Chemical Sciences Division, Lawrence Berkeley National Laboratory 3 , Berkeley, California 94720, USA

4. Materials Science Division, Lawrence Berkeley National Laboratory 4 , Berkeley, California 94720, USA

Abstract

In this paper, we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor–bridge–acceptor molecules, where the electron transfer is mediated by chirality and spin–orbit coupling. In general, the recombination process is selective only for spin-coherence between singlet and triplet states, and it is not, in general, selective for spin polarization. We find that spin polarization selectivity only arises in hopping-mediated electron transfer. We describe how this effective spin-polarization selectivity is a consequence of spin-polarization generated transiently in the intermediate state. The recombination process also augments the coherent spin dynamics of the charge separated state, which is found to have a significant effect on the recombination dynamics and to destroy any long-lived spin polarization. Although we only consider a simple donor–bridge–acceptor system, the framework we present here can be straightforwardly extended to describe spin-selective recombination processes in more complex systems.

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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