SOLID-STATE SYNTHESIS, CRYSTAL-STRUCTURE, AND NONLINEAR REFRACTIVE AND ABSORPTIVE PROPERTIES OF THE NEW CLUSTER (N-BU(4)N)(2)[MOOS3CU3BRCL2]

The title compound (n-BU4N)(2)[MoOS3CU3BrCl2] was synthesized for nonl inear optical studies by reaction of (NH4)(2)MoO2S2, CuCl, and (n-Bu)N 4Br in the solid state. Single-crystal X-ray analysis reveals that the cluster anion assumes a nest-shaped structure. The crystal has a mono clinic symmetry with a space group of P2(1)/c. Cell parameters are a = 21.779(5) Angstrom, b = 11.169(7) Angstrom, c = 22.012(3) Angstrom, b eta = 118.61(1)degrees, V = 4700.7 Angstrom(3), and Z = 4. The crystal structure was refined to R = 0.056, R(w) = 0.058. The cluster exhibit s interesting self-defocusing and nonlinear absorptive properties. The se nonlinear optical properties of the cluster and the electronic spec trum, XPS, and oxidation-reduction behavior of the cluster are discuss ed.