1 November 1990 Theoretical determination of the nonlinear optical properties of inorganic polymers
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Third order hyperpolarizabilities were calculated using the Huckel Hamiltonian and third order perturbation theory for a series of phosphonitrilic compounds, (X2P-N)n, as a function of bond length alternation, ligand substitution and backbone conformation. Phosphonitrilic compounds show hyperpolarizabilities comparable to those reported for organic species, and are modulated by ligand group electronegativity. In contrast to organic polyenes, the difference in it orbital energy between phosphorus and nitrogen is critical to determining the onset of saturation and the magnitude of the hyperpolarizability. Conformation effects are smaller than those seen in polyenes.
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Steven M. Risser, Steven M. Risser, } "Theoretical determination of the nonlinear optical properties of inorganic polymers", Proc. SPIE 1438, Laser-Induced Damage in Optical Materials 1989, 14381K (1 November 1990); doi: 10.1117/12.2294465; https://doi.org/10.1117/12.2294465

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