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Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine

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Ultrafast Phenomena XIX

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 162))

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Abstract

We theoretically verified the participation of optically dark nπ* states other than S1 in ultrafast internal conversion of pyrazine. Contrary to a recent semiclassical study, our quantum dynamical calculations demonstrated that their contributions are negligible.

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References

  1. Innes KK, Ross IG, Moomaw WR (1988) Electronic States of Azabenzenes and Azanaphthalenes: A Revised and Extended Critical Review. J Mol Spectrosc 132:492-544.

    Google Scholar 

  2. Woywod C, Domcke W, Sobolewski AL, Werner H-J (1994) Characterization of the S1–S2 conical intersection in pyrazine using ab initio multiconfiguration self-consistent-field and multireference configuration-interaction methods. J Chem Phys 100:1400-1413.

    Google Scholar 

  3. Suzuki Y-I, Fuji T, Horio T, Suzuki T (2010) Time-resolved photoelectron imaging of ultrafast S2 → S1 internal conversion through conical intersection in pyrazine. J Chem Phys 132:174302.

    Google Scholar 

  4. Werner U, Mitrić R, Suzuki T, Bonačić-Koutecký V (2008) Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine. Chem Phys 349:319-324.

    Google Scholar 

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Author information

Authors and Affiliations

  1. Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, 980-8578, Japan

    Manabu Kanno, Hirohiko Kono & Yuichi Fujimura

  2. Department of Chemistry, Niigata University, Ikarashi Nino-Cho 8050, Niigata, 950-2181, Japan

    Yuta Ito & Noriyuki Shimakura

  3. Department of Chemistry, Graduate School of Science and Research Institute for Molecular Electronic Devices (RIMED), Osaka Prefecture University, 1-1 Gakuen-Cho, Naka-Ku, Sakai, 599-8531, Japan

    Shiro Koseki

  4. Department of Applied Chemistry, Institute of Molecular Science and Center for Interdisciplinary Molecular Science, National Chiao-Tung University, Hsin-Chu 300, Taiwan

    Yuichi Fujimura

Authors
  1. Manabu Kanno
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  2. Yuta Ito
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  3. Noriyuki Shimakura
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  4. Shiro Koseki
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  5. Hirohiko Kono
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  6. Yuichi Fujimura
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Corresponding authors

Correspondence to Manabu Kanno or Noriyuki Shimakura .

Editor information

Editors and Affiliations

  1. Department of Chemistry, The University of Tokyo, Tokyo, Japan

    Kaoru Yamanouchi

  2. JILA, University of Colorado, Boulder, Colorado, USA

    Steven Cundiff

  3. Department of Chemistry, Ludwig-Maximilians-University, München, Germany

    Regina de Vivie-Riedle

  4. Department of Physics, The University of Tokyo, Tokyo, Japan

    Makoto Kuwata-Gonokami

  5. Department of Physics, The Ohio State University, Columbus, Ohio, USA

    Louis DiMauro

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© 2015 Springer International Publishing Switzerland

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Kanno, M., Ito, Y., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y. (2015). Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine. In: Yamanouchi, K., Cundiff, S., de Vivie-Riedle, R., Kuwata-Gonokami, M., DiMauro, L. (eds) Ultrafast Phenomena XIX. Springer Proceedings in Physics, vol 162. Springer, Cham. https://doi.org/10.1007/978-3-319-13242-6_42

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