1,2-Ethanedithiol, dithallium(1+) salt | 63987-93-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: 1,2-Ethanedithiol, dithallium(1+) salt
• 英文别名: (S2C2H4-1,2)(thallium(I))2；dithallium ethane-1,2-dithiolate
• CAS: 63987-93-9
• 化学式: C₂H₄S₂*2Tl
• 分子量: 500.952
• InChiKey: MQQZWDLNMVHAAG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  5.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,2-Ethanedithiol, dithallium(1+) salt 在 CS₂ 作用下， 以 水 为溶剂， 以86%的产率得到thallium-1,2-ethane-bis(trithiocarbonate)
  参考文献：
  名称：

  Gattow, G.; Schubert, U., Zeitschrift für anorganische und allgemeine Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  thallium 、 1,2-乙二硫醇 以 乙腈 为溶剂， 以77%的产率得到1,2-Ethanedithiol, dithallium(1+) salt
  参考文献：
  名称：

  Geloso, Corrado; Mabrouk, Hassan E.; Tuck, Dennis G., Journal of the Chemical Society, Dalton Transactions, 1989, p. 1759 - 1764

  摘要：

  DOI：

文献信息

• Synthesis and characterisation of monocyclopentadienyl dithiolato complexes of niobium and tantalum; crystal structures of [Nb2(μ-O)(μ-η2∶η2-S2C2H4)(η5-C5H4Me)2Cl4] and [Nb2(μ-η1∶η2-S2C2H4)2(η5-C5H4Me)2O(S2C2H4)] †
  作者：W. Edward Lindsell、Georgina M. Rosair、Malcolm A. Spence

  DOI：10.1039/a804808h

  日期：——

  Reactions of tetrachloro(cyclopentadienyl)niobium with arenedithiolates yielded products [NbCp(1,2-S2C6H3R-4)2] (Cp = η5-C5H5; R = H 1 or Me 2), characterised primarily by analysis, 1H NMR and mass spectroscopy. Cyclic voltammetric studies on 1 and 2 showed two consecutive, quasi-reversible, reduction processes; ESR spectra of the initial products of chemical reduction were typical of those from niobium(IV) species with an unpaired electron largely centred on the metal and assigned to the anions [NbCp(1,2-S2C6H3R-4)2]–. Similar tantalum derivatives were less tractable, although properties of the more soluble species [TaCp′(1,2-S2C6H4)2] (Cp′ = η5-C5H4Me) are reported. Reactions of tetrachloro(methylcyclopentadienyl)-niobium or -tantalum with salts of ethane-1,2-dithiol (H2edt) were very susceptible to hydrolysis and the major isolable products of reactions using the sodium reagent (Na2edt) were [M2(µ-O)(µ-η2∶η2-edt)Cp′2Cl4] (M = Nb 4 or Ta 5), containing oxo and symmetrical dithiolate bridges. Reaction of [NbCp′Cl4] with 2 molar equivalents of Tl2edt formed the unsymmetrical compound [Nb2(µ-η1∶η2-edt)2Cp′2O(edt)] 6, containing a terminal oxide ligand, one chelating and two unsymmetrically bridging edt groups. Structures of compounds 4 and 6 have been determined in the solid state by X-ray crystallography; 1- and 2-D NMR spectra of the binuclear products support the retention of these structures in solution.

  四氯化(环戊二烯基)铌与芳基二硫醇的反应产物为[NbCp(1,2-S2C6H3R-4)2](Cp = η5-C5H5; R = H 1 或 Me 2)，主要通过分析、1H NMR 和质谱进行表征。对 1 和 2 进行的循环伏安研究显示了两个连续的、准可逆的还原过程；化学还原的初始产物的 ESR 光谱具有典型的铌(IV)物种特征，其中未成对电子主要集中在金属中心，并被指认为阴离子[NbCp(1,2-S2C6H3R-4)2]-。类似的钽衍生物较为难以处理，尽管报道了更易溶的物种[TaCp′(1,2-S2C6H4)2](Cp′ = η5-C5H4Me)的性质。四氯化(甲基环戊二烯基)铌或钽与乙烷-1,2-二硫醇(H2edt)盐的反应非常容易水解，主要可分离产物为使用了钠试剂(Na2edt)反应得到的[M2(μ-O)(μ-η2∷η2-edt)Cp′2Cl4](M = Nb 4 或 Ta 5)，含有氧桥和二硫醇对称桥。[NbCp′Cl4]与2摩尔当量的Tl2edt反应形成了不对称化合物[Nb2(μ-η1∷η2-edt)2Cp′2O(edt)] 6，含有端氧配体、一个螯合和一个二硫醇不对称桥。化合物4和6的固体结构通过X射线晶体学确定；二核产物的1-D和2-D NMR光谱支持溶液中这些结构的保留。
• Monocyclopentadienyltitanium complexes with thiolate ligands; crystal structure of Ti(η5-C5H5)(SC6H5)3
  作者：W Lindsell

  DOI：10.1016/s0022-328x(98)01018-3

  日期：1999.3.27

  Thallium(I) derivatives of monocyclopentadienylbis(ethane-1,2-dithiolato)titanium, TlTi(η5-C5HnMe5-n)(edt)2 1, n=0; 2, n=4; edt=1,2-S2C2H4}, have been synthesised and isolated in yields of 81 and 45%, respectively, from reactions of the corresponding reagents, Ti(η5-C5HnMe5−n)Cl3 and thallium salts of the ethane-1,2-dithiol. Conformational changes of the chelating dithiolate ligands in compound 1

  铊（I）的monocyclopentadienylbis衍生物（乙烷-1,2- dithiolato）钛，TLTI（η 5 -C 5 H ^ Ñ我5-正）（EDT）2 1，Ñ = 0; 2，n = 4；EDT = 1,2-S 2 c ^ 2 ħ 4 }，已被合成并在分别为81和45％，产率分离出，从相应的试剂的反应中，钛（η 5 -C 5 H ^ Ñ我5- Ñ）氯3和乙烷-1,2-二硫醇的al盐 已通过可变温度1 H-NMR光谱法监测了化合物1中螯合二硫醇盐配体的构象变化。类型合成TiCP（SAR）的化合物的制备3（CP = η 5 -C 5 H ^ 5）已经被研究和合成TiCP（SC的晶体结构6 ħ 5）3，3，由X射线衍射测定；该化合物采用三足钢琴凳形配合几何结构，带有两个平行的苯环（面内夹角为2.0（2）°），该环与环戊二烯基钛单元之间的CC-C接触范围在3.52-3.62Å之间
• Novel reactions of organic sulfur and selenium compounds with thallium(III) nitrate: sulfoxide and selenoxide formation and pummerer-like reaction
  作者：Yoshimitsu Nagao、Masahito Ochiai、Kimiyoshi Kaneko、Akio Maeda、Kohji Watanabe、Eiichi Fujita

  DOI：10.1016/s0040-4039(01)93013-8

  日期：1977.1