Linear molecular-mass dependence of second hyperpolarizabilities: Lack of polar enhancement in nonconjugated molecules

Daniel Kost, Alan T. Yeates, Douglas S. Dudis

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Second hyperpolarizabilities (γ) of a series of R-X molecules (R = H, Me, Et, Pri, But; X = -NCHO, OH, Me) have been calculated at various ab initio levels; surprisingly, γ increases nearly linearly with molecular mass, is minimally affected by the functional group X, and is slightly greater for alkanes.

Original languageEnglish
Pages (from-to)83-84
Number of pages2
JournalChemical Communications
Issue number1
DOIs
StatePublished - 1 Dec 1993

ASJC Scopus subject areas

  • Molecular Medicine

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