论文部分内容阅读
报道了系列共 9个以 [(M2 OnS4-n) (i mnt) 2 ] 2 -(M =Mo ,W ;i mnt=S2 CC(CN) 2 -2 ;n =0 ,1,2 )二核簇为阴离子 ,以某些有机基团如R4N (R =烷基 ) ,质子化的 4,4′ bpy或碱金属Cs ,K ,二价金属Ni,Mn配合物为阳离子的新化合物的合成 ,晶体结构 ,谱学表征和成键特征 .这些化合物通过S…S ,S…Cl,Cl…Cl超分子相互作用及离子间氢键形成双聚、链状、层状、三维网络及包合物堆积结构 .采用扩展的H櫣ｃｋｅｌ近似下的紧束缚能带方法计算了部分化合物的能带结构 ,表明正是这些簇间或离子间的相互作用提供了簇间电荷转移的可能 .部分晶体粉末样品的变温电导率测试证实了它们具有半导体导电性能
A series of nine new reports were reported in the series [(M2 OnS4-n) (i mnt) 2] 2 - (M = Mo, W; i mnt = S2 CC (CN) Synthesis of Novel Compounds Having Nucleation Clusters Anion Cation With Certain Organic Groups Like R4N (R = Alkyl), Protonated 4,4 ’bpy or Alkali Metal Cs, K, Divalent Metallic Ni, Mn Complexes , Crystal structure, spectroscopic characterization and bond formation.These compounds form the bi-poly, chain, stratified, three-dimensional network and inclusion by S ... S, S ... Cl, Cl ... Cl supramolecular interactions and intermolecular hydrogen bonding The bulk structure.The energy band structures of some compounds were calculated using the tight binding band method under the extended H 櫣 ckel approximation, indicating that it is the inter-cluster or inter-ionic interactions that provide the potential for inter-cluster charge transfer.Partial crystal powders The temperature-dependent conductivity tests of the samples confirmed their semiconducting properties