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.
D. Kost, A. T. Yeates and D. S. Dudis, J. Chem. Soc., Chem. Commun., 1993, 83 DOI: 10.1039/C39930000083
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