Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules: Toward the realization of an electric field induced open-shell NLO switch

Masayoshi Nakano, Takuya Minami, Hitoshi Fukui, Kyohei Yoneda, Yasuteru Shigeta, Benoît Champagne, Edith Botek, Koji Ohta, Kenji Kamada, Takashi Kubo

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Abstract

We investigate the effects of a static electric field on the third-order nonlinear optical (NLO) properties-static second hyperpolarizabilities γ-of symmetric singlet diradical molecules using the valence configuration interaction scheme. It is found that the application of the field strongly (∼ two-three order) enhances the component of γ along the axis joining the two radical sites of symmetric diradicals having intermediate diradical characters as compared to those of closed-shell and pure diradical molecules in absence of a field. These results are expected to open a new path to realize an electric field control NLO switch based on open-shell singlet molecular systems.

Original languageEnglish
Title of host publicationProceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010
EditorsTheodore E. Simos, Theodore E. Simos, George Maroulis, Theodore E. Simos, Theodore E. Simos
PublisherAmerican institute of physics
Pages477-480
Number of pages4
ISBN (Electronic)9780735412828
DOIs
Publication statusPublished - 1 Jan 2015
EventInternational Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010 - Psalidi, Kos, Greece
Duration: 3 Oct 20108 Oct 2010

Publication series

NameAIP Conference Proceedings
Volume1642
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

ConferenceInternational Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010
CountryGreece
CityPsalidi, Kos
Period3/10/108/10/10

Fingerprint

switches
optical properties
electric fields
configuration interaction
molecules
valence

Keywords

  • diradical
  • field control
  • nonlinear optics
  • open-shell
  • second hyperpolarizability

Cite this

Nakano, M., Minami, T., Fukui, H., Yoneda, K., Shigeta, Y., Champagne, B., ... Kubo, T. (2015). Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules: Toward the realization of an electric field induced open-shell NLO switch. In T. E. Simos, T. E. Simos, G. Maroulis, T. E. Simos, & T. E. Simos (Eds.), Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010 (pp. 477-480). [4906724] (AIP Conference Proceedings; Vol. 1642). American institute of physics. https://doi.org/10.1063/1.4906724
Nakano, Masayoshi ; Minami, Takuya ; Fukui, Hitoshi ; Yoneda, Kyohei ; Shigeta, Yasuteru ; Champagne, Benoît ; Botek, Edith ; Ohta, Koji ; Kamada, Kenji ; Kubo, Takashi. / Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules : Toward the realization of an electric field induced open-shell NLO switch. Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. editor / Theodore E. Simos ; Theodore E. Simos ; George Maroulis ; Theodore E. Simos ; Theodore E. Simos. American institute of physics, 2015. pp. 477-480 (AIP Conference Proceedings).
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abstract = "We investigate the effects of a static electric field on the third-order nonlinear optical (NLO) properties-static second hyperpolarizabilities γ-of symmetric singlet diradical molecules using the valence configuration interaction scheme. It is found that the application of the field strongly (∼ two-three order) enhances the component of γ along the axis joining the two radical sites of symmetric diradicals having intermediate diradical characters as compared to those of closed-shell and pure diradical molecules in absence of a field. These results are expected to open a new path to realize an electric field control NLO switch based on open-shell singlet molecular systems.",
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Nakano, M, Minami, T, Fukui, H, Yoneda, K, Shigeta, Y, Champagne, B, Botek, E, Ohta, K, Kamada, K & Kubo, T 2015, Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules: Toward the realization of an electric field induced open-shell NLO switch. in TE Simos, TE Simos, G Maroulis, TE Simos & TE Simos (eds), Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010., 4906724, AIP Conference Proceedings, vol. 1642, American institute of physics, pp. 477-480, International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010, Psalidi, Kos, Greece, 3/10/10. https://doi.org/10.1063/1.4906724

Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules : Toward the realization of an electric field induced open-shell NLO switch. / Nakano, Masayoshi; Minami, Takuya; Fukui, Hitoshi; Yoneda, Kyohei; Shigeta, Yasuteru; Champagne, Benoît; Botek, Edith; Ohta, Koji; Kamada, Kenji; Kubo, Takashi.

Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. ed. / Theodore E. Simos; Theodore E. Simos; George Maroulis; Theodore E. Simos; Theodore E. Simos. American institute of physics, 2015. p. 477-480 4906724 (AIP Conference Proceedings; Vol. 1642).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

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T1 - Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules

T2 - Toward the realization of an electric field induced open-shell NLO switch

AU - Nakano, Masayoshi

AU - Minami, Takuya

AU - Fukui, Hitoshi

AU - Yoneda, Kyohei

AU - Shigeta, Yasuteru

AU - Champagne, Benoît

AU - Botek, Edith

AU - Ohta, Koji

AU - Kamada, Kenji

AU - Kubo, Takashi

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N2 - We investigate the effects of a static electric field on the third-order nonlinear optical (NLO) properties-static second hyperpolarizabilities γ-of symmetric singlet diradical molecules using the valence configuration interaction scheme. It is found that the application of the field strongly (∼ two-three order) enhances the component of γ along the axis joining the two radical sites of symmetric diradicals having intermediate diradical characters as compared to those of closed-shell and pure diradical molecules in absence of a field. These results are expected to open a new path to realize an electric field control NLO switch based on open-shell singlet molecular systems.

AB - We investigate the effects of a static electric field on the third-order nonlinear optical (NLO) properties-static second hyperpolarizabilities γ-of symmetric singlet diradical molecules using the valence configuration interaction scheme. It is found that the application of the field strongly (∼ two-three order) enhances the component of γ along the axis joining the two radical sites of symmetric diradicals having intermediate diradical characters as compared to those of closed-shell and pure diradical molecules in absence of a field. These results are expected to open a new path to realize an electric field control NLO switch based on open-shell singlet molecular systems.

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A2 - Simos, Theodore E.

PB - American institute of physics

ER -

Nakano M, Minami T, Fukui H, Yoneda K, Shigeta Y, Champagne B et al. Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules: Toward the realization of an electric field induced open-shell NLO switch. In Simos TE, Simos TE, Maroulis G, Simos TE, Simos TE, editors, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. American institute of physics. 2015. p. 477-480. 4906724. (AIP Conference Proceedings). https://doi.org/10.1063/1.4906724