Interpretation of finite-field molecular cubic polarizability via real-space contributions: Application to π-conjugated oligomers

V. M. Geskin; J. L. Brédas

doi:10.1016/S0379-6779(00)00465-3

Interpretation of finite-field molecular cubic polarizability via real-space contributions: Application to π-conjugated oligomers

V. M. Geskin^*, J. L. Brédas

^*Corresponding author for this work

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

7 Scopus citations

Abstract

A partitioning scheme for the molecular cubic polarizability γ in terms of local atomic contributions is further developed and applied to long organic conjugated molecules. We discuss, in chemically-oriented terms, the origin of the high nonresonant cubic response in polyenes and its enhancement upon push-pull substitution due to the mutual influence of the donor/acceptor substituents and the conjugated bridge. Extremely large γ values are predicted for specifically built compounds.

Original language	English (US)
Pages (from-to)	269-273
Number of pages	5
Journal	Synthetic Metals
Volume	116
Issue number	1-3
DOIs	https://doi.org/10.1016/S0379-6779(00)00465-3
State	Published - Jan 1 2001
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/S0379-6779(00)00465-3

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title = "Interpretation of finite-field molecular cubic polarizability via real-space contributions: Application to π-conjugated oligomers",

abstract = "A partitioning scheme for the molecular cubic polarizability γ in terms of local atomic contributions is further developed and applied to long organic conjugated molecules. We discuss, in chemically-oriented terms, the origin of the high nonresonant cubic response in polyenes and its enhancement upon push-pull substitution due to the mutual influence of the donor/acceptor substituents and the conjugated bridge. Extremely large γ values are predicted for specifically built compounds.",

author = "Geskin, {V. M.} and Br{\'e}das, {J. L.}",

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AU - Brédas, J. L.

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Y1 - 2001/1/1

N2 - A partitioning scheme for the molecular cubic polarizability γ in terms of local atomic contributions is further developed and applied to long organic conjugated molecules. We discuss, in chemically-oriented terms, the origin of the high nonresonant cubic response in polyenes and its enhancement upon push-pull substitution due to the mutual influence of the donor/acceptor substituents and the conjugated bridge. Extremely large γ values are predicted for specifically built compounds.

AB - A partitioning scheme for the molecular cubic polarizability γ in terms of local atomic contributions is further developed and applied to long organic conjugated molecules. We discuss, in chemically-oriented terms, the origin of the high nonresonant cubic response in polyenes and its enhancement upon push-pull substitution due to the mutual influence of the donor/acceptor substituents and the conjugated bridge. Extremely large γ values are predicted for specifically built compounds.

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U2 - 10.1016/S0379-6779(00)00465-3

DO - 10.1016/S0379-6779(00)00465-3

M3 - Article

AN - SCOPUS:0343337142

SN - 0379-6779

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JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

Interpretation of finite-field molecular cubic polarizability via real-space contributions: Application to π-conjugated oligomers

Abstract

ASJC Scopus subject areas

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