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

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Keywords

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

Cite this

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 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