Work

Distinct contiguous versus separated triplet-pair multiexcitons in an intramolecular singlet fission chromophore

Year: 2024

Type: article

Abstract: We show from many-body quantum mechanical calculations that there occur structurally distinct triplet-pair eigenstates in the intramolecular singlet fission (iSF) compound pentacene-tetracene-pentacene. Triplet excitons occupy neighboring pentacene and tetracene monomers in the higher energy doubly degenerate triplet-triplet multiexcitons, and terminal pentacene chromophores in the lower energy multiexciton. The lowest energy multiexciton is reached by ultrafast triplet migration within the triplet-triplet manifold, a result with profound implication for the design of superior iSF compounds.

Source: Physical review. B./Physical review. B

DOI: 10.1103/physrevb.110.l121104

Authors: R. Chesler, P. Bhattacharyya, A. Shukla, S. Mazumdar

Institutions: University of Arizona, Leibniz Institute for Solid State and Materials Research, Indian Institute of Technology Bombay

Language: English

Topic: Photochemistry and Electron Transfer Studies

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

Funders: National Science Foundation, University of Arizona, Deutsche Forschungsgemeinschaft, Division of Chemistry

Awards: Superaustausch, effektive Wechselwirkungen und magnetische Grundzustände in frustrierten DreiecksQuantenmagneten, Distinct photophysics of the spin-entangled triplet-triplet versus free triplets in organic semiconductors, Theoretical approach to weakly bound triplet-triplet multiexciton in intramolecular singlet fission chromophores, G6150924163