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Title: Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films

Due to its ability to offset thermalization losses in photoharvesting systems, singlet fission has become a topic of research interest. During singlet fission, a high energy spin-singlet state in an organic semiconductor divides its energy to form two lower energy spin-triplet excitations on neighboring chromophores. While key insights into mechanisms leading to singlet fission have been gained recently, developing photostable compounds that undergo quantitative singlet fission remains a key challenge. In this report, we explore triplet exciton production via singlet fission in films of perylenediimides, a class of compounds with a long history of use as industrial dyes and pigments due to their photostability. As singlet fission necessitates electron transfer between neighboring molecules, its rate and yield depend sensitively on their local arrangement. Here, by adding different functional groups at their imide positions, we control how perylenediimides pack in the solid state.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1]
  1. The Univ. of Texas at Austin, Austin, TX (United States)
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Report Number(s):
NREL/JA-5900-70499
Journal ID: ISSN 0002-7863; TRN: US1800964
Grant/Contract Number:
AC36-08GO28308
Type:
Accepted Manuscript
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 140; Journal Issue: 2; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Research Org:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; singlet fission; electronic coupling; perylenediimide films
OSTI Identifier:
1416902

Le, Aaron K., Bender, Jon A., Arias, Dylan H., Cotton, Daniel E., Johnson, Justin C., and Roberts, Sean T.. Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films. United States: N. p., Web. doi:10.1021/jacs.7b11888.
Le, Aaron K., Bender, Jon A., Arias, Dylan H., Cotton, Daniel E., Johnson, Justin C., & Roberts, Sean T.. Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films. United States. doi:10.1021/jacs.7b11888.
Le, Aaron K., Bender, Jon A., Arias, Dylan H., Cotton, Daniel E., Johnson, Justin C., and Roberts, Sean T.. 2017. "Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films". United States. doi:10.1021/jacs.7b11888. https://www.osti.gov/servlets/purl/1416902.
@article{osti_1416902,
title = {Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films},
author = {Le, Aaron K. and Bender, Jon A. and Arias, Dylan H. and Cotton, Daniel E. and Johnson, Justin C. and Roberts, Sean T.},
abstractNote = {Due to its ability to offset thermalization losses in photoharvesting systems, singlet fission has become a topic of research interest. During singlet fission, a high energy spin-singlet state in an organic semiconductor divides its energy to form two lower energy spin-triplet excitations on neighboring chromophores. While key insights into mechanisms leading to singlet fission have been gained recently, developing photostable compounds that undergo quantitative singlet fission remains a key challenge. In this report, we explore triplet exciton production via singlet fission in films of perylenediimides, a class of compounds with a long history of use as industrial dyes and pigments due to their photostability. As singlet fission necessitates electron transfer between neighboring molecules, its rate and yield depend sensitively on their local arrangement. Here, by adding different functional groups at their imide positions, we control how perylenediimides pack in the solid state.},
doi = {10.1021/jacs.7b11888},
journal = {Journal of the American Chemical Society},
number = 2,
volume = 140,
place = {United States},
year = {2017},
month = {12}
}