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

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférenceArticle dans les actes d'une conférence/un colloque

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

switches
optical properties
electric fields
configuration interaction
molecules
valence

Citer ceci

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
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. Editeur / Theodore E. Simos ; Theodore E. Simos ; George Maroulis ; Theodore E. Simos ; Theodore E. Simos. American institute of physics, 2015. p. 477-480 (AIP Conference Proceedings).
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title = "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",
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.",
keywords = "diradical, field control, nonlinear optics, open-shell, second hyperpolarizability",
author = "Masayoshi Nakano and Takuya Minami and Hitoshi Fukui and Kyohei Yoneda and Yasuteru Shigeta and Beno{\^i}t Champagne and Edith Botek and Koji Ohta and Kenji Kamada and Takashi Kubo",
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editor = "Simos, {Theodore E.} and Simos, {Theodore E.} and George Maroulis and Simos, {Theodore E.} and Simos, {Theodore E.}",
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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. Dans 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, p. 477-480, International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010, Psalidi, Kos, Grèce, 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).

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférenceArticle dans les actes d'une conférence/un colloque

TY - GEN

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

PY - 2015/1/1

Y1 - 2015/1/1

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.

KW - diradical

KW - field control

KW - nonlinear optics

KW - open-shell

KW - second hyperpolarizability

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DO - 10.1063/1.4906724

M3 - Conference contribution

AN - SCOPUS:85063854658

T3 - AIP Conference Proceedings

SP - 477

EP - 480

BT - Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010

A2 - Simos, Theodore E.

A2 - Simos, Theodore E.

A2 - Maroulis, George

A2 - Simos, Theodore E.

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. Dans Simos TE, Simos TE, Maroulis G, Simos TE, Simos TE, rédacteurs en chef, 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