钐(III) 离子载体 II | 120097-53-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 钐(III) 离子载体 II
• 中文别名: 钐(III)离子载体II
• 英文名称: 4,5,6,7-tetrathiocino<1,2-b:3,4-b'>diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione
• 英文别名: 4,5,6,7-tetrathiocino[1,2-b:3,4-b']diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione；5,6,7,8-tetrathiocino(1,2-b:3,4-b')diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione；Samarium(III) Ionophore II；3,5,12,14-tetraethyl-7,8,9,10-tetrathia-3,5,12,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione
• CAS: 120097-53-2
• 化学式: C₁₄H₂₀N₄S₆
• 分子量: 436.736
• InChiKey: UCISCPCNYYIDSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  178
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  钐(III) 离子载体 II 、 zinc(II) chloride 以 四氢呋喃 、 甲醇 为溶剂， 生成 (4,5,6,7-tetrathiocino(1,2-b:3,4-b')diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione)ZnCl2
  参考文献：
  名称：

  Complexes of 4,5,6,7-Tetrathiocino[1,2-b:3,4-b′]diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione (Et4todit) with group IIb metal halides. Crystal and molecular structure of (Cd(II)Et4toditCl2)n

  摘要：

  DOI：

  10.1016/s0020-1693(00)80482-x
• 作为产物：
  描述：

  N,N'-diethylimidazolidine-2-thione-4,5-dione 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 0.25h， 生成 钐(III) 离子载体 II
  参考文献：
  名称：

  衍生自1,3-二烷基咪唑烷-2,4,5-三硫酮的新型中性二硫镍镍络合物显示出显着的近红外吸收

  摘要：

  一系列稳定的中性镍-二硫代镍络合物[Ni（R 2 timdt）2 ]（其中R 2 timdt是1,3-二烷基咪唑烷- 2,4,5-三硫酮和烷基= Et，Pr i，Bu），在λ≈1000nm处显示出强烈的电子吸收，并报道了Pr i衍生物的晶体结构。

  DOI：

  10.1039/c39950000371

文献信息

• New neutral nickel dithiolene complexes derived from 1,3-dialkylimidazolidine-2,4,5-trithione, showing remarkable near-IR absorption
  作者：Francesco Bigoli、Paola Deplano、Francesco A. Devillanova、Vito Lippolis、Peter J. Lukes、Maria Laura Mercuri、Maria Angela Pellinghelli、Emanuele F. Trogu

  DOI：10.1039/c39950000371

  日期：——

  The synthesis, solution redox properties and electronic spectra of a new series of stable, neutral nickel–dithiolene complexes [Ni(R2timdt)2](where R2timdt is the monoreduced anion of the first example of 1,3-dialkylimidazolidine-2,4,5-trithione and alkyl = Et, Pri, Bu), showing an intense electronic absorption at λ≈ 1000 nm, as well as the crystal structure of the Pri derivative are reported.

  一系列稳定的中性镍-二硫代镍络合物[Ni（R 2 timdt）2 ]（其中R 2 timdt是1,3-二烷基咪唑烷- 2,4,5-三硫酮和烷基= Et，Pr i，Bu），在λ≈1000nm处显示出强烈的电子吸收，并报道了Pr i衍生物的晶体结构。
• Preparation and characterization of polymeric compounds of copper(I) halogenides with Et4todit=4,5,6,7-tetrathiocino[1,2-b:3,4-b′]diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione. Crystal and molecular structures of [Cu(I)(Et4todit)I]n and [Cu(I)(Et4todit)I]n·n/2Me2CO
  作者：Francesco Bigoli、Maria Angela Pellinghelli、Paola Deplano、Emanuele F. Trogu

  DOI：10.1016/s0020-1693(00)85183-x

  日期：1991.4

  have shown that the compounds crystallize in the orthorhombic crystal system; space group P212121, Z=4, with a=19.792(5), b=14.167(4), c=8.537(4) A (compound 1) and a=22.088(7), b=14.414(6), c=8.807(6) A (compound 2). The coordination around Cu(I) is trigonal in both compounds and involves the iodide ion and two S atoms of two ligand molecules related by a screw axis. Both metal and ligand are bridging

  摘要复合物[Cu（II）（Et4todit）X2]（Et4todit =标题配体，X = Cl或Br）以非常正的还原电位还原。CH2Cl2溶液上的循环伏安图显示出准可逆过程，相对于SCE，E 1 2 = 0.68（Cl）和0.48（Br）V。在适当的还原剂存在下，通过使CuX2（X = Cl和Br）与Et4todit反应化学制备还原的物质。当还原剂是对苯二酚在有机溶剂中时，通过浓缩获得黄色产物，分析为Cu2（Et4todit）X2。当还原剂在MeeCO中为I-时，获得的产物取而代之的是根据Cu（Et4todit）I（化合物1）进行元素分析，它也可以与1 2 Me2CO（化合物2）一起结晶。化合物1和2的晶体的X射线结果表明，该化合物在正交晶系中结晶。空间组P212121，Z = 4，a = 19.792（5），b = 14.167（4），c = 8.537（4）A（化合物1）和a = 22
• Bigoli, Francesco; Pellinghelli, Maria Angela; Atzei, Davide, Phosphorus and Sulfur and the Related Elements, 1988, vol. 37, p. 189 - 194
  作者：Bigoli, Francesco、Pellinghelli, Maria Angela、Atzei, Davide、Deplano, Paola、Trogu, Emanuele F.

  DOI：——

  日期：——
• Bigoli, Francesco; Deplano, Paola; Marcis, Simona, Phosphorus, Sulfur and Silicon and the Related Elements, 1998, vol. 136, p. 659 - 662
  作者：Bigoli, Francesco、Deplano, Paola、Marcis, Simona、Mercuri, Maria Laura、Onnis, Rita、Orru, Ginevra、Pellinghelli, Maria Angela、Trogu, Emanuele F.

  DOI：——

  日期：——
• Synthesis and characterization of the complexes [Cu(II)(Et4todit)X2]n·nTHF (Et4todit=4,5,6,7-tetrathiocino[1,2-b:3,4-b′]-diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione; XCl, Br). Crystal and molecular structure of [Cu(II)(Et4todit)Cl2]n·nTHF
  作者：Francesco Bigoli、Maria Angela Pellinghelli、Paola Deplano、Emanuele F. Trogu、Antonio Sabatini、Alberto Vacca

  DOI：10.1016/s0020-1693(00)84933-6

  日期：1991.2

  By reacting CuX2 (X = Cl or Br) with Et4todit (Et4todit = the title ligand) in THF, the new ligand-bridged polynuclear complexes [Cu(II)(Et4todit)X2]n.nTHF have been obtained. The X-ray crystallographic studies on the Cl derivative show that the compound crystallizes in the orthorhombic space group Fdd2, with a = 32.674(6), b = 34.547(6), c = 10.162(3) angstrom, Z = 16. The coordination around the metal involves two Cl- ions and two S-thioamide atoms of two ligand molecules related by a screw axis, and is nearer to a square planar than to a tetrahedral arrangement. The bridging ligands form helical chains running parallel to c. The copper-copper distances in and between the chains are 7.601(4) and 9.185(5) angstrom, respectively. ESR measurements on this polymer give g values in accordance with a strongly distorted rhombic structure. The magnetic susceptibility data within the temperature range 5-150 K exhibit a Curie behaviour for both complexes (mu = 1.82 and 1.72 BM for Cl and Br complexes, respectively). Electronic spectroscopic results show that: (i) the environment around the copper(II) is the same in the solid state and in THF solution; (ii) reagents and products exist in THF at supersaturation conditions; (iii) S-(thioamide)copper(II) LMCT bands are observed at 555 and 620 nm for Cl and Br complexes, respectively. IR spectra agree with the X-ray structural results.