Second-order nonlinear optical properties of multiaddressable indolinooxazolidine derivatives: Joint Computational and hyper-Rayleigh scattering investigations

Kornelia Pielak, Flavie Bondu, Lionel Sanguinet, Vincent Rodriguez, Benoît Champagne, Frédéric Castet

Résultats de recherche: Contribution à un journal/une revueArticle

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 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).

langueAnglais
Pages1851-1860
Nombre de pages10
journalJournal of Physical Chemistry C
Volume121
Numéro3
Les DOIs
étatPublié - 3 janv. 2017

Empreinte digitale

Rayleigh scattering
Optical properties
Derivatives
optical properties
Electric commutation
commutation
Density functional theory
Charge transfer
Substitution reactions
switches
charge transfer
Switches
substitutes
density functional theory
augmentation
energy

mots-clés

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    title = "Second-order nonlinear optical properties of multiaddressable indolinooxazolidine derivatives: Joint Computational and hyper-Rayleigh scattering investigations",
    abstract = "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).",
    keywords = "Nonlinear optical properties, Quantum chemistry",
    author = "Kornelia Pielak and Flavie Bondu and Lionel Sanguinet and Vincent Rodriguez and Beno{\^i}t Champagne and Fr{\'e}d{\'e}ric Castet",
    year = "2017",
    month = "1",
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    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.

    Dans: Journal of Physical Chemistry C, Vol 121, Numéro 3, 03.01.2017, p. 1851-1860.

    Résultats de recherche: Contribution à un journal/une revueArticle

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    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).

    KW - Nonlinear optical properties

    KW - Quantum chemistry

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    U2 - 10.1021/acs.jpcc.6b11082

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