Spin density encodes intramolecular singlet exciton fission in pentacene dimers

K. C. Krishnapriya, Palas Roy, Boregowda Puttaraju, Ulrike Salzner, Andrew J. Musser, Manish Jain, Jyotishman Dasgupta () and Satish Patil ()
Additional contact information
K. C. Krishnapriya: Indian Institute of Science
Palas Roy: Tata Institute of Fundamental Research
Boregowda Puttaraju: Indian Institute of Science
Ulrike Salzner: Bilkent University
Andrew J. Musser: University of Sheffield
Manish Jain: Indian Institute of Science
Jyotishman Dasgupta: Tata Institute of Fundamental Research
Satish Patil: Indian Institute of Science

Nature Communications, 2019, vol. 10, issue 1, 1-8

Abstract: Abstract The formation of two triplet excitons at the cost of one photon via singlet exciton fission in organic semiconductors can potentially enhance the photocurrent in photovoltaic devices. However, the role of spin density distribution in driving this photophysical process has been unclear until now. Here we present the significance of electronic spin density distribution in facilitating efficient intramolecular singlet exciton fission (iSEF) in π-bridged pentacene dimers. We synthetically modulate the spin density distribution in a series of pentacene dimers using phenyl-, thienyl- and selenyl- flanked diketopyrrolopyrrole (DPP) derivatives as π-bridges. Using femtosecond transient absorption spectroscopy, we find that efficient iSEF is only observed for the phenyl-derivative in ~2.4 ps while absent in the other two dimers. Electronic structure calculations reveal that phenyl-DPP bridge localizes α- and β-spin densities on distinct terminal pentacenes. Upon photoexcitation, a spin exchange mechanism enables iSEF from a singlet state which has an innate triplet pair character.

Date: 2019
References: Add references at CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41467-018-07736-3 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-018-07736-3

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-018-07736-3

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().