Remarkable two-photon absorption in open-shell singlet systems

Masayoshi Nakano, Kyohei Yoneda, Ryohei Kishi, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Edith Botek, Benòt Champagne

Research output: Contribution to journalArticlepeer-review

55 Citations (Scopus)


Remarkable enhancement of two-photon absorption (TPA) peak is theoretically predicted in symmetric open-shell singlet diradical systems with intermediate diradical character as compared to closed-shell and pure diradical systems. It is revealed that the largest TPA peak intensities occur for open-shell singlet diradicals having a ferromagnetically coupled ground state and strongly depend on the ratio between damping factors of the excited states. This result confirms that open-shell singlet conjugated molecules with intermediate diradical characters have precedence over conventional closed-shell conjugated systems in resonant third-order nonlinear optical properties.

Original languageEnglish
Article number114316
JournalJournal of Chemical Physics
Issue number11
Publication statusPublished - 2009
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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