Tuning of large second hyperpolarizabilities in organic conjugated compounds

F. Meyers; S. R. Marder; B. M. Pierce; J. L. Brédas

doi:10.1016/0009-2614(94)00905-8

Tuning of large second hyperpolarizabilities in organic conjugated compounds

F. Meyers^*, S. R. Marder, B. M. Pierce, J. L. Brédas

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

The geometry of a typical polymethine dye is tuned as a function of an external electric field from a neutral structure to a zwitterionic (charge-separated) structure. The corresponding evolutions of the ground and excited states and the nonlinear optical response are calculated at the correlated level. Analysis of the results allows us to determine a consistent three-term model for the second hyperpolarizability. This model rationalizes recent experimental data and can be exploited to optimize γ in either a positive or negative sense.

Original language	English (US)
Pages (from-to)	171-176
Number of pages	6
Journal	Chemical Physics Letters
Volume	228
Issue number	1-3
DOIs	https://doi.org/10.1016/0009-2614(94)00905-8
State	Published - Sep 30 1994
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "The geometry of a typical polymethine dye is tuned as a function of an external electric field from a neutral structure to a zwitterionic (charge-separated) structure. The corresponding evolutions of the ground and excited states and the nonlinear optical response are calculated at the correlated level. Analysis of the results allows us to determine a consistent three-term model for the second hyperpolarizability. This model rationalizes recent experimental data and can be exploited to optimize γ in either a positive or negative sense.",

author = "F. Meyers and Marder, {S. R.} and Pierce, {B. M.} and Br{\'e}das, {J. L.}",

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AU - Meyers, F.

AU - Marder, S. R.

AU - Pierce, B. M.

AU - Brédas, J. L.

PY - 1994/9/30

Y1 - 1994/9/30

N2 - The geometry of a typical polymethine dye is tuned as a function of an external electric field from a neutral structure to a zwitterionic (charge-separated) structure. The corresponding evolutions of the ground and excited states and the nonlinear optical response are calculated at the correlated level. Analysis of the results allows us to determine a consistent three-term model for the second hyperpolarizability. This model rationalizes recent experimental data and can be exploited to optimize γ in either a positive or negative sense.

AB - The geometry of a typical polymethine dye is tuned as a function of an external electric field from a neutral structure to a zwitterionic (charge-separated) structure. The corresponding evolutions of the ground and excited states and the nonlinear optical response are calculated at the correlated level. Analysis of the results allows us to determine a consistent three-term model for the second hyperpolarizability. This model rationalizes recent experimental data and can be exploited to optimize γ in either a positive or negative sense.

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U2 - 10.1016/0009-2614(94)00905-8

DO - 10.1016/0009-2614(94)00905-8

M3 - Article

AN - SCOPUS:0000122995

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SP - 171

EP - 176

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

Tuning of large second hyperpolarizabilities in organic conjugated compounds

Abstract

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