Synthesis, crystal structure and second-order molecular polarizability of Cd[CH3O(OH)C6H3CH=N(CH2)(2)OH](2)Br-2

The title complex Cd[CH3 O(OH)C6H3CH = N(CH2)(2)OH](2)Br-2, was characteriz ed by elemental analysis, IR spectra and X-ray diffraction method. Crystal data: CdC20H26N2O6Br2,Mr = 662. 66, monoclinic, P2(l)/n, a = 7.8512(2), b = 17.391(3), c = 17.575(4) Angstrom, beta = 90.86(3)degrees, V = 2392(1) Ang strom (3), Z = 4, D-c = 1.8348. cm(-3), mu (MoK alpha) = 4.2419mm(-1), F(00 0) = 1304, final R = 0.074, R-w = 0.084 for 2470 [I greater than or equal t o 3 sigma (I)] observed reflections. The powder SHG experiments respectivel y with a 1.064 mum Nd:YAG laser beam. By determining the crystal structure and calculating second-order molecule (beta = 3.341 x 10(-30) esu) of the c omplex, we further discussed the relationship between second-order molecula r polarizability and macro laser second harmonic generation and molecular s tructure as well as crystal structure. It proved that only when the non-cen trosymmetrical molecules were provided with a non-centrosymmetrical environ ment could we get nonlinear optical material with strong laser second harmo nic generation.