Synthesis, crystal structure and nonlinear optical properties of a manganese supramolecular compound

A supramolecular [Mn(NCS)(2)(H2O)(2)(HMTA)(2)][Mn(NCS)(2)(H2O)(4)](H2O)(2) Was synthesized by the reaction of MnSO4.H2O and KSCN with hexamethylene-te tramine (HMTA). The results of single-crystal X-ray diffraction reveal that the compound consists of [Mn(NCS)(2)(H2O)(2)(HMTA)(2)], [Mn(NCS)(2)(H20)(4 )] and H2O. One N atom of each HMTA coordinates to Mn atom, other three N a toms form hydrogen bonds with [Mn(NCS)(2)(H2O)(4)] and H2O. [Mn(NCS)(2)(H2O )(2)(HMTA)(2)], [Mn(NCS)(2)(H2O)(4)] and H2O form seven kinds of hydrogen b onds to lead a supramolecule of three-dimensional structure. Its third-orde r nonlinear optical properties were determined in DMF solution. The n(2) an d chi ((3)) were measured to be 9.52 x 10(-19) m(2). W-1 and 3.41 x 10(-12) esu, respectively.