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Suppression of Internal Conversions from Pseudo-Degenerate Excited Electronic States

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Photosynergetic Responses in Molecules and Molecular Aggregates

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Abstract

We describe the relationship between the rate constant of internal conversion and vibronic coupling constant (VCC) based on the crude-adiabatic approximation. Vibronic coupling density (VCD) is introduced to clarify the origin of vibronic couplings from the local picture. The control of vibronic couplings from pseudo-degenerate excited electronic states gives the suppression of internal conversions. We discuss the fluorescence via higher triplets (FvHT) mechanism observed in the organic light-emitting diodes (OLEDs) of 1,4-bis(10-phenylanthracene-9-yl)benzene (BD1) used as a fluorescent dopant and the aggregation-induced enhanced emission (AIEE) of 1,2-bis(pyridylphenyl)ethene (CNPPE).

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Acknowledgements

This study was supported by JSPS KAKENHI Grant Number JP17H05259 in Scientific Research on Innovative Areas “Photosynergetics”, JSPS KAKENHI Grant Number JP18K05261 in Scientific Research (C), and Element Strategy Initiative of MEXT Grant Number JPMXP0112101003. The computations were partly performed at Supercomputer System, Institute for Chemical Research, Kyoto University, Academic Center for Computing and Media Studies (ACCMS), Kyoto University, and Research Center for Computational Science, Okazaki.

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Authors and Affiliations

  1. Fukui Institute for Fundamental Chemistry, Kyoto University, Sakyo-ku, Kyoto, 606-8103, Japan

    Wataru Ota & Tohru Sato

  2. Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto, 615-8510, Japan

    Wataru Ota & Tohru Sato

  3. Unit of Elements Strategy Initiative for Catalysts & Batteries, Kyoto University, Nishikyo-ku, Kyoto, 615-8510, Japan

    Tohru Sato

Authors
  1. Wataru Ota
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  2. Tohru Sato
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Correspondence to Tohru Sato .

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Editors and Affiliations

  1. Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka, Japan

    Hiroshi Miyasaka

  2. Graduate School of Engineering, Kyoto University, Kyoto, Japan

    Kenji Matsuda

  3. Department of Chemistry, Aoyama Gakuin University, Sagamihara, Kanagawa, Japan

    Jiro Abe

  4. Graduate School of Materials Science, Nara Institute of Science and Technology, Ikoma, Nara, Japan

    Tsuyoshi Kawai

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Ota, W., Sato, T. (2020). Suppression of Internal Conversions from Pseudo-Degenerate Excited Electronic States. In: Miyasaka, H., Matsuda, K., Abe, J., Kawai, T. (eds) Photosynergetic Responses in Molecules and Molecular Aggregates. Springer, Singapore. https://doi.org/10.1007/978-981-15-5451-3_5

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