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

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Résumé

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.

langue originaleAnglais
titreProceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010
rédacteurs en chefTheodore E. Simos, Theodore E. Simos, George Maroulis, Theodore E. Simos, Theodore E. Simos
EditeurAmerican institute of physics
Pages477-480
Nombre de pages4
ISBN (Electronique)9780735412828
Les DOIs
étatPublié - 1 janv. 2015
EvénementInternational Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010 - Psalidi, Kos, Grèce
Durée: 3 oct. 20108 oct. 2010

Série de publications

NomAIP Conference Proceedings
Volume1642
ISSN (imprimé)0094-243X
ISSN (Electronique)1551-7616

Une conférence

Une conférenceInternational Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010
PaysGrèce
La villePsalidi, Kos
période3/10/108/10/10

    Empreinte digitale

Contient cette citation

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. Dans 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 (p. 477-480). [4906724] (AIP Conference Proceedings; Vol 1642). American institute of physics. https://doi.org/10.1063/1.4906724