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Frequently it is useful to compare experimental values of the hyperpolarizabilities β and γ with calculated values. It is also often helpful to compare experimental values of β obtained from dc-electric field induced second harmonic generation (dc-SHG) experiments, e.g., with values obtained using the solvatochromism method. In order to do this the hyperpolarizabilities must be defined using consistent conventions. In this paper, four commonly used conventions are discussed and simple factors for converting between them presented. In addition, the sum-over-states expression for the calculation of β and γ is described and its correct use in comparing with hyperpolarizabilities obtained using other experimental and theoretical techniques discussed. As an illustration of the consistent use of conventions, ab initio and semiempirical calculations on para-nitroaniline are compared with experimental dc-SHG values. This comparison highlights the difference between theoretical values of the hyperpolarizability with the molecule in a gas phase environment and experimental values obtained in polar solvents−a difference that has in the past been obscured by inconsistent choice of conventions.

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The thermal stability of the electric field induced poled order in a new class of second-order optically nonlinear polymers, "donor-imbedded" side-chain polyimides containing no flexible connectors or tethers to the nonlinear optical (NLO) chromophore, is investigated. In these polymers, the electron-donor part of the chromophore is a diaryl-substituted amine that is incorporated as a part of the polymer backbone. The donorimbedded systems used in this study have exceptional chemical stabilities at elevated temperatures (350 degrees C) and impressive poled order stability at extremely high temperatures (300 degrees C). In both respects, they were significantly more stable than a true side-chain polyimide with a similar NLO-active chromophore covalently linked to the polymer backbone by a flexible tether group.

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