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The synthesis, crystal structures, and the quadratic nonlinear optical (NLO) response properties of new nickel(II) metal complexes are described. The effect of the metal in the environment of the ligand charge-transfer pathway is investigated experimentally by the electric-field-induced second-harmonic (EFISH) method.

An experiment was conducted to study the structure and characteristics of the nickel bis(dithiolene) derivatives such as the [Ni(dmit)]. The combination of [Ni(dmit)2]-based anions with cationic chromophores resulted to approximation of molecular systems showing both nonlinear optical (NLO) and conducting properties. Results revealed three compounds arising from the slow diffusion of [Ni(dmit)2]- anions. The second order types of NLO were successfully inserted into the conducting layers of the [Ni(dmt)2]- anions.

A study was conducted to examine the molecular responses of inorganic chromophores such as nickel, copper, zinc and manganese and the roles of the C=N-C linkage which functions as the withdrawing counterpart of the chromopores. The magnetic susceptibility of manganese and nickel derivatives was analyzed. Results revealed that these chromophore derivatives crystallize in noncentrosymmetric space groups and the manganese derivative showed an efficiency compared to other metal complex derivatives.

The computationally efficient, chemically-oriented ZINDO-SOS model helps examine the electronic structure and quadratic hyperpolarizabilities of organotransition-metal chromophores with weakly coupled pi-networks. This model also helps determine the electronic origins for a second-order nonlinear optical (NLO) response in molecules. Linear and NLO characteristics of (pyridine)M(CO)5 chromophores predicted by the model agree with the experimental findings, and an electron-withdrawing group in the pyridine ring increases the second-order response. Molecular orbital analysis reveals the function of the metal pentacarbonyl fragment as a sigma-acceptor. Synthesis and analysis of the donor-functionalized chromophore (4-(dimethylamino)-4'-stilbazole)W(CO)5 support the NLO response model.

A family of copper(II)-gadolinium(III) metal complexes are reported in which ferromagnetic coupling and quadratic nonlinear optical properties are observed for the first time. The origin of efficiency in second harmonic generation and ferromagnetic coupling are located on the same molecular entity in the solid state on the crystal of formula CuGdL(super 2)(NO3)(sub 3).C3H6O.

Discusses a ligand (H[sub 2]LOH) obtained from the Schiff base condensation of 4-(diethylamino)salicylaldehyde which yields different copper complexes. Elaboration of molecular materials with large quadratic nonlinear optical (NLO) properties; X-ray crystal structure determination.