Hyper-Rayleigh scattering has been used to determine the nonlinear optical properties of a chromophore-containing protein in solution. Because the technique of hyper-Rayleigh scattering allows the measurement of hyperpolarizabilities in an isotropic solution without the application of an electric field, this method is ideally suited for the study of proteins that carry a net charge. The observed orientational correlation between the nonlinear optical chromophores in incompletely solubilized protein molecules suggests that guidelines from protein structures can be used for the engineering of supramolecular structures with high optical nonlinearity.

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The band shape observed for the 3 A 2g → 3 T 1g ( 3 F), 1 E g crystal field transitions (1) in the UV-NIR absorption spectrum of Ni(H 2 O) 6 2+ is analyzed with a time-dependent theoretical model and visualized in this electronic publication. The importance of fast intersystem crossings is illustrated by our animations, as is the influence of the positions of the excitedstate potential energy surfaces, along both the energy and the normal coordinate axes (2). The model quantitatively reproduces the experimental spectrum between 550 and 900 nm and illustrates the important symmetry and bonding information that can be obtained from electronic spectra of transition metal compounds. W JCE Internet MaterialThe full article is available at JCE Internet, http:// jchemed.chem.wisc.edu/JCEWWW/Articles/index.html.