journal article·2021-06-10Open access

Efficient Free Triplet Generation Follows Singlet Fission in Diketopyrrolopyrrole Polymorphs with Goldilocks Coupling

Andrew M. Levine, Guiying He, Guanhong Bu, Pablo Ramos, Fanglue Wu, Aisha Soliman, Jacqueline Serrano, Dorian Pietraru, Christopher Chan, James D. Batteas, Marta Kowalczyk, Seogjoo J. Jang, Brent L. Nannenga, Matthew Y. Sfeir, Esther H. R. Tsai, Adam B. Braunschweig

The Journal of Physical Chemistry C· Volume 125· Issue 22

Abstract

Microcrystal electron diffraction, grazing incidence wide-angle scattering, and UV-Vis spectroscopy were used to determine the unit cell structure and the relative composition of dimethylated diketopyrrolopyrrole (MeDPP) H- and J-polymorphs within thin films subjected to vapor solvent annealing (VSA) for different times. Electronic structure and excited state deactivation pathways of the different polymorphs were examined by transient absorption spectroscopy, conductive probe atomic force microscopy, and molecular modeling. We find VSA initially converts amorphous films into mixtures of H- and J-polymorphs and promotes further conversion from H to J with longer VSA times. Though both polymorphs exhibit efficient SF to form coupled triplets, free triplet yields are higher in J-polymorph films compared to mixed films because coupling in J-aggregates is lower, and, in turn, more favorable for triplet decoupling.
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Research context

OpenAlex topics: Spectroscopy and Quantum Chemical Studies · Nonlinear Optical Materials Research · Photoreceptor and optogenetics research

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Affiliations

Department of Chemistry, Hunter College, 695 Park Avenue, New York, New York 10065, United States

Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States

Department of Physics, Graduate Center, City University of New York, New York, New York 10016, United States

Chemical Engineering, School for Engineering of Matter, Transport, and Energy, Arizona State University, Tempe, Arizona 85287, United States

Department of Chemistry and Biochemistry, Queens College, City University of New York, 65-30 Kissena Boulevard, Queens, New York 11367, United States

Department of Natural Sciences, LaGuardia Community College, City University of New York, New York, New York 11101, United States

Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, United States

Funding

Division of Chemistry · Division of Human Resource Development · National Institute of General Medical Sciences · Division of Materials Research

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