一种锰的超分子化合物的制备、结构及非线性光学 性质研究

用MnSO4·H2O,KSCN,六次甲基四胺(HMTA)制备出超分子化合物[Mn(NCS)2(H2O)2(HMTA)2][Mn(NCS)2(H2O)4](H2O)2,并测定了其晶体结构。该化合物由[Mn(NCS)2(H2O)2(HMTA)2],[Mn(NCS)2(H2O)4]和H2O三部分组成，每一个HMTA配体中仅有一个N原子与Mn原子配位，剩余的3个N分别与[Mn(NCS)2(H2O)4]中的H2O及结晶H2O之间形成氢键。[Mn(NCS)2(H2O)2(HMTA)2]和[Mn(NCS)2(H2O)4]之间通过N…H—O氢键边接成无限延伸的线性长链，链与链、以及链和结晶H2O之间通过七种形式的氢键构成三维结构的超分子。用Z-扫描法测定该化合物在DMF溶液中的三阶非线性光学性质，发现它具有自聚焦效应，三阶非线性折射系数n2=9.52×10^-9m^2·W^-1，非线性极化率χ^(3)=3.41×10^-12esu.

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- tetramine (HMTA). The results of single-crystal X-ray diffraction reveal that the compoudn consists of [Mn(NCS)2(H2O)2(HMTA)2],[Mn(NCS) 2(H2O)4] and H2O. One N atom of each HMTA coordinates to Mn atom, other three N atoms 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 bonds to lead a supramolecule of three-dimensional structure. Its third-order nonlinear optical properties were determined in DMF solution. The n2 and χ^(3) were measured to be 9.52×10^-9m^2·W^-1 and 3.14×10^-12 esu, respectively.