### Résumé

The linear and nonlinear optical (NLO) properties of two indolinooxazolidine derivatives acting as multiaddressable switches are reported. The second-order hyperpolarizability contrasts upon commutation between their closed and open forms are characterized using hyper-Rayleigh scattering (HRS) measurements, and rationalized by means of density functional theory and post Hartree-Fock ab initio calculations. It is evidenced that the addition of a withdrawing substituent on the indolinic subunit leads to a more effective photoinduced charge transfer while decreasing the transition energy of the S_{0} → S_{1} transition, which induces a significant enhancement of the HRS response of the open form. This substitution is however detrimental to the NLO contrast, due to the concomitant increase of the HRS response of the closed form. (Graph Presented).

langue | Anglais |
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Pages | 1851-1860 |

Nombre de pages | 10 |

journal | Journal of Physical Chemistry C |

Volume | 121 |

Numéro | 3 |

Les DOIs | |

état | Publié - 3 janv. 2017 |

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*Journal of Physical Chemistry C*, VOL. 121, Numéro 3, p. 1851-1860. DOI: 10.1021/acs.jpcc.6b11082

**Second-order nonlinear optical properties of multiaddressable indolinooxazolidine derivatives : Joint Computational and hyper-Rayleigh scattering investigations.** / Pielak, Kornelia; Bondu, Flavie; Sanguinet, Lionel; Rodriguez, Vincent; Champagne, Benoît; Castet, Frédéric.

Résultats de recherche: Contribution à un journal/une revue › Article

TY - JOUR

T1 - Second-order nonlinear optical properties of multiaddressable indolinooxazolidine derivatives

T2 - Journal of Physical Chemistry C

AU - Pielak,Kornelia

AU - Bondu,Flavie

AU - Sanguinet,Lionel

AU - Rodriguez,Vincent

AU - Champagne,Benoît

AU - Castet,Frédéric

PY - 2017/1/3

Y1 - 2017/1/3

N2 - The linear and nonlinear optical (NLO) properties of two indolinooxazolidine derivatives acting as multiaddressable switches are reported. The second-order hyperpolarizability contrasts upon commutation between their closed and open forms are characterized using hyper-Rayleigh scattering (HRS) measurements, and rationalized by means of density functional theory and post Hartree-Fock ab initio calculations. It is evidenced that the addition of a withdrawing substituent on the indolinic subunit leads to a more effective photoinduced charge transfer while decreasing the transition energy of the S0 → S1 transition, which induces a significant enhancement of the HRS response of the open form. This substitution is however detrimental to the NLO contrast, due to the concomitant increase of the HRS response of the closed form. (Graph Presented).

AB - The linear and nonlinear optical (NLO) properties of two indolinooxazolidine derivatives acting as multiaddressable switches are reported. The second-order hyperpolarizability contrasts upon commutation between their closed and open forms are characterized using hyper-Rayleigh scattering (HRS) measurements, and rationalized by means of density functional theory and post Hartree-Fock ab initio calculations. It is evidenced that the addition of a withdrawing substituent on the indolinic subunit leads to a more effective photoinduced charge transfer while decreasing the transition energy of the S0 → S1 transition, which induces a significant enhancement of the HRS response of the open form. This substitution is however detrimental to the NLO contrast, due to the concomitant increase of the HRS response of the closed form. (Graph Presented).

UR - http://www.scopus.com/inward/record.url?scp=85019904955&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.6b11082

DO - 10.1021/acs.jpcc.6b11082

M3 - Article

VL - 121

SP - 1851

EP - 1860

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 3

ER -