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 journalArticlepeer-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 languageEnglish (US)
Pages (from-to)269-273
Number of pages5
JournalSynthetic Metals
Volume116
Issue number1-3
DOIs
StatePublished - Jan 1 2001
Externally publishedYes

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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