bis(2-mercaptobenzothiazonato)cadmium(II)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: bis(2-mercaptobenzothiazonato)cadmium(II)
• 英文别名: mercaptobenzothiazolato cadmium(II)；cadmium 2-mercaptobenzthiazolate；(bztzS)2Cd
• 化学式: 2C₇H₄NS₂*Cd
• 分子量: 444.905
• InChiKey: XAOSKKMOSXLKHN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  14.1
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  bis(2-mercaptobenzothiazonato)cadmium(II) 在 (C₅H₄N)2 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到cadmium(II)(benzothiazole-2-thiolate)2(2,2'-bipyridine)
  参考文献：
  名称：

  Interaction of zinc and cadmium Bis(benzothiazole-2-thiolates) with nitrogen bases

  摘要：

  The reactions of polymeric [Zn(C7H4NS2)2] and [Cd(C7H4NS2)2] with pyridine (py), 2,2'-bipyridine (bipy) and 1,10-phenanthroline (phen) lead to the formation of mononuclear adducts which have been characterized by elemental analysis and infrared spectroscopy. The complexes [Zn(C7H4NS2)2(py)2] 1, [Zn(C7H4NS2)2(bipy)] 2 and [Cd(C7H4NS2)2(py)2] 3 were structurally characterized by X-ray crystallography. Adducts 1 and 2 have distorted-tetrahedral ZnN2S2 Cores. The zinc ions are co-ordinated to the two exocyclic S atoms of the benzothiazole-2-thiolates and to two nitrogen atoms from the py or bipy base. The Zn-S and Zn-N bond distances are 2.324(l) and 2.063(4) angstrom in 1 and 2.310(13) and 2.096(4) angstrom in 2. The complex [Zn(C7H4NS2)2(phen)] was found to be isomorphous to 2. Adduct 3 shows a distorted-octahedral CdN4S2 unit formed by two bidentate S,N benzothiazole-2-thiolates and two cis pyridine nitrogen atoms. The two exocyclic S atoms are located at the axial positions. The mean Cd-S and Cd-N bonds of the bidentate ligands in 3 are 2.706(10) and 2.422(30) angstrom and the corresponding mean Cd-N (py) is 2.334(4) angstrom. The infrared spectra of the adducts in the range 650-200 cm-1 are discussed in the light of the known structures. The thermal degradation of complexes 1-3 affords ZnS or CdS.

  DOI：

  10.1039/dt9930003367
• 作为产物：
  描述：

  bis(mercaptobenzthiazolato)bis(pyridine)cadmium(II) 以 neat (no solvent) 为溶剂， 生成 bis(2-mercaptobenzothiazonato)cadmium(II)
  参考文献：
  名称：

  McCleverty, Jon A.; Gill, Stephen; Kowalski, Rick S. Z., Journal of the Chemical Society, Dalton Transactions, 1982, p. 493 - 504

  摘要：

  DOI：

文献信息

• Complexes of heterocyclic thiones and group 12 metals: Part VI. Preparation and characterisation of complexes of cadmium(II) halides with 1-methylimidazoline-2(3H)-thione, 1,3-thiazolidine-2-thione and 1,3-benzothiazoline-2-thione. Crystal structures of polymeric (1,3-thiazolidine-2-thione)cadmium(II) chloride, bis(1,3-thiazolidine-2-thione)cadmium(II) iodide and monomeric bis(1-methylimidazoline-2(3H)-thione)cadmium(II) bromide
  作者：Norman A Bell、William Clegg、Simon J Coles、Christopher P Constable、Ross W Harrington、Michael B Hursthouse、Mark E Light、Eric S Raper、Chris Sammon、Martin R Walker

  DOI：10.1016/j.ica.2003.10.036

  日期：2004.5

  Reactions of 1-methylimidazoline-2(3H)-thione (meimz2SH), 1,3-thiazolidine-2-thione (tzdSH) and 1,3-benzothiazoline-2-thione (bztzSH) with cadmium(II) halides in ethanol solutions result in the formation of 1:1 complexes for the chloride, both 1:1 and 2:1 complexes for the bromide, and only 2:1 complexes for the iodide. Spectroscopic evidence confirms the exocyclic sulfur atom to be the donor in all

  1-甲基咪唑啉-2（3H）-硫酮（meimz2SH），1,3-噻唑烷-2-硫酮（tzdSH）和1,3-苯并噻唑啉-2-硫酮（bztzSH）与卤化镉（II）在乙醇溶液中的反应导致氯化物形成1：1的配合物，溴化物形成1：1和2：1的配合物，碘化物仅形成2：1的配合物。光谱证据证实，在所有情况下，环外硫原子都是供体。乙酸镉（II）和三乙基胺存在下的杂环配体形成不溶的去质子化的配合物。（tzdSH）CdCl 2的结构由双卤素桥连的链组成，它们通过NH linkedCl相互作用连接成片，并且杂环通过外环硫原子与金属配位。因此，每个镉大约八面体地被一个硫，2个二配位和3个三配位的氯原子包围。相反（tzdSH）2 CdI 2通过I⋯S相互作用形成链；金属由两个硫和两个碘原子四面体配位。（meimz2SH）2 CdBr 2的结构由离散的复杂分子组成，这些分子具有基本上四面体配位的Cd，并且没有明显的分子间
• Electrochemical synthesis of benzothiazole-2-thionato complexes of nickel(II), Zinc(II) and cadmium(II): the crystal structure of 2,2′-bipyridine bis(benzothiazole-2-thionato)zinc(II)
  作者：Rosa Castro、Jose A. Garcia-Vazquez、Jaime Romero、Antonio Sousa、Charles A. McAuliffe、Robin Pritchard

  DOI：10.1016/s0277-5387(00)88263-7

  日期：1993.9

  metal (nickel, zinc or cadmium) in acetonitrile solutions of benzothiazole-2-thione (Hbztz) gave the compounds [M(bztz) 2 ] [M = nickel(II), zinc(II) and cadmium(II)]. When the oxidations were repeated in the presence of neutral ligands L′ (2,2′-bipyridine or 1,10-phenanthroline) the complexes [M(bztz) 2 L′] were obtained. The crystal structure of 2,2′-bipyridine bis(benzothiazole-2-thionato)zinc(II)

  在苯并噻唑-2-硫酮（Hbztz）的乙腈溶液中对阳极金属（镍，锌或镉）进行电化学氧化，得到化合物[M（bztz）2] [M =镍（II），锌（II）和镉（ II）]。当在中性配体L'（2,2'-联吡啶或1,10-菲咯啉）的存在下重复氧化时，获得了配合物[M（bztz）2 L']。通过X射线衍射确定2，2′-联吡啶双（苯并噻唑-2-硫代）锌（II）的晶体结构。该化合物由单体分子组成，其中中心ZnS 2 N 2单元具有稍微扭曲的四面体环境。讨论了配合物的电子，IR和1 H和13 C NMR光谱，并与它们的结构有关。
• Highly efficient and stable photocatalytic properties of CdS/FeS nanocomposites
  作者：Yu Li、Shubin Chen、Kejie Zhang、Siwen Gu、Jing Cao、Yuan Xia、Changgen Yang、Wu Sun、Zhiping Zhou

  DOI：10.1039/d0nj01424a

  日期：——

  CdS/FeS nanocomposites were successfully synthesized via a liquid-phase thermal decomposition of a single precursor and an ion adsorption method.

  通过单一前驱体的液相热分解和离子吸附法，成功合成了 CdS/FeS 纳米复合材料。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cd: SVol., 20.2, page 788 - 792
  作者：

  DOI：——

  日期：——
• Spacu, G.; Kurash, M., Journal fur praktische Chemie (Leipzig 1954), 1936, vol. 144, p. 106 - 114
  作者：Spacu, G.、Kurash, M.

  DOI：——

  日期：——