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Morrison AF, Herbert JM. Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene. J Phys Chem Lett. 2017;8(7):1442-1448doi: 10.1021/acs.jpclett.7b00230.
Morrison, A. F., & Herbert, J. M. (2017). Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene. The journal of physical chemistry letters, 8(7), 1442-1448. https://doi.org/10.1021/acs.jpclett.7b00230
Morrison, Adrian F, and Herbert, John M. "Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene." The journal of physical chemistry letters vol. 8,7 (2017): 1442-1448. doi: https://doi.org/10.1021/acs.jpclett.7b00230
Morrison AF, Herbert JM. Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene. J Phys Chem Lett. 2017 Apr 06;8(7):1442-1448. doi: 10.1021/acs.jpclett.7b00230. Epub 2017 Mar 17. PMID: 28277682.
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J Phys Chem Lett. 2017 Apr 06;8(7):1442-1448. doi: 10.1021/acs.jpclett.7b00230. Epub 2017 Mar 17.

Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene.

The journal of physical chemistry letters

Adrian F Morrison, John M Herbert

Affiliations

  1. Department of Chemistry and Biochemistry, The Ohio State University , Columbus, Ohio 43210, United States.

PMID: 28277682 DOI: 10.1021/acs.jpclett.7b00230

Abstract

Singlet fission proceeds rapidly and with high quantum efficiency in both crystalline tetracene and pentacene, which poses a conundrum given that the process in tetracene is disfavored by the electronic energetics. Here, we use an ab initio exciton model to compute nonadiabatic couplings in the unit cell of tetracene in order to identify the modes that promote this process. Four intramolecular modes in the range of 1400-1600 cm

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