[Zn(S₂CNEt₂)₂]₂ | 15664-02-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Zn(S₂CNEt₂)₂]₂
• 英文别名: [(bis(diethyldithiocarbamato)zinc(II))2]；diethyldithiocarbamatozinc(II)；Zn2(Edtc)4；dizinc;N,N-diethylcarbamodithioate
• CAS: 15664-02-5
• 化学式: C₂₀H₄₀N₄S₈Zn₂
• 分子量: 723.872
• InChiKey: QYHTVZBJWXQBDT-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  4.64
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  145
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  吡啶 、 [Zn(S₂CNEt₂)₂]₂ 以 甲苯 为溶剂， 生成 [(pyridine)bis(diethyldithiocarbamato)zinc(II)]
  参考文献：
  名称：

  Isomorphism of bis(diethyldithiocarbamato)zinc(II) adduct with pyridine, [Zn(Py)(EDtc)2]: hysteresis in the reaction of the adduct formation

  摘要：

  The structure of the polycrystalline adduct bis(diethyldithiocarbamato)-pyridine zinc(II) depends on the pathway of physicochemical conditions during the preparation procedure, as was revealed by solid state N-15 CP/MAS spectroscopy in good correlation with known single crystal X-ray diffraction structures of this adduct. Two isomorphs of the adduct, namely alpha-[Zn(Py)(S2CNEt2)(2)] and beta-[Zn(Py)(S2CNEt2)(2)], are the two molecules in the asymmetric unit of a single crystal (or polycrystalline) sample that can be obtained by recrystallization from toluene of the equimolar solution of the initial diethyldithiocarbamate zinc(II) complex and pyridine. The third isomorph, gamma-[Zn(Py)(S2CNEt2)(2)], can be obtained by recrystallization from pure pyridine of the diethyldithiocarbamate zinc(II) complex, or by its equimolar absorption of pyridine, or by desorption of pyridine from the clathrated adduct, [Zn(Py)(S2CNEt2)(2)]Py-.. Finally, the gamma-[Zn(Py)(S2CNEt2)(2)] isomorph recrystallizes from the melt into alpha/beta-isomorphs of the adduct. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(02)01274-3
• 作为产物：
  描述：

  [(pyridine)bis(diethyldithiocarbamato)zinc(II)] 以 neat (no solvent) 为溶剂， 生成 [Zn(S₂CNEt₂)₂]₂
  参考文献：
  名称：

  Isomorphism of bis(diethyldithiocarbamato)zinc(II) adduct with pyridine, [Zn(Py)(EDtc)2]: hysteresis in the reaction of the adduct formation

  摘要：

  The structure of the polycrystalline adduct bis(diethyldithiocarbamato)-pyridine zinc(II) depends on the pathway of physicochemical conditions during the preparation procedure, as was revealed by solid state N-15 CP/MAS spectroscopy in good correlation with known single crystal X-ray diffraction structures of this adduct. Two isomorphs of the adduct, namely alpha-[Zn(Py)(S2CNEt2)(2)] and beta-[Zn(Py)(S2CNEt2)(2)], are the two molecules in the asymmetric unit of a single crystal (or polycrystalline) sample that can be obtained by recrystallization from toluene of the equimolar solution of the initial diethyldithiocarbamate zinc(II) complex and pyridine. The third isomorph, gamma-[Zn(Py)(S2CNEt2)(2)], can be obtained by recrystallization from pure pyridine of the diethyldithiocarbamate zinc(II) complex, or by its equimolar absorption of pyridine, or by desorption of pyridine from the clathrated adduct, [Zn(Py)(S2CNEt2)(2)]Py-.. Finally, the gamma-[Zn(Py)(S2CNEt2)(2)] isomorph recrystallizes from the melt into alpha/beta-isomorphs of the adduct. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(02)01274-3

文献信息

• Fullerene complexes with divalent metal dithiocarbamates: structures, magnetic properties, and photoconductivity
  作者：D. V. Konarev、S. S. Khasanov、D. V. Lopatin、V. V. Rodaev、R. N. Lyubovskaya

  DOI：10.1007/s11172-007-0339-y

  日期：2007.11

  A series of complexes of fullerenes C60 and C70 with metal dithiocarbamates MII(R2dtc)2}·Cm (m = 60 or 70) and metal dithiocarbamates coordinated to nitrogen-containing ligands (L), MII(R2dtc)2)x·L}·C60 (x = 1 or 2), where M = Cu, Zn, Cd, Hg, Mn, or Fe, R = Me, Et, Prn, Pri, or Bun, L is 1,4-diazabicyclo[2.2.2]octane (DABCO), N,N′-dimethylpiperazine, or hexamethylenetetramine, were synthesized. The

  富勒烯 C60 和 C70 与金属二硫代氨基甲酸酯 MII(R2dtc)2}·Cm (m = 60 或 70) 和金属二硫代氨基甲酸酯与含氮配体 (L) 配位的一系列配合物，MII(R2dtc)2)x· L}·C60 (x = 1 或 2)，其中 M = Cu、Zn、Cd、Hg、Mn 或 Fe，R = Me、Et、Prn、Pri 或 Bun，L 为 1,4-二氮杂双环[2.2 .2] 辛烷 (DABCO)、N,N'-二甲基哌嗪或六亚甲基四胺被合成。二硫代氨基甲酸酯分子的形状与 C60 的球形形状在空间上相容，导致它们的 π 系统之间有效相互作用。所得化合物的特征在于富勒烯分子的分层或三维堆积。在 C60 复合物中，二硫代氨基甲酸铁 (II) 和二硫代氨基甲酸锰 (II) 以高自旋状态 (S = 2 和 5/2) 存在。MII(Et2dtc)2}2·Cm (M = Fe or Mn, m
• Ivanov; Ivakhnenko; Gerasimenko, Russian Journal of Inorganic Chemistry, 2003, vol. 48, # 1, p. 45 - 54
  作者：Ivanov、Ivakhnenko、Gerasimenko、Forsling

  DOI：——

  日期：——
• ——
  作者：A. V. Ivanov、W. Forsling、O. N. Antzutkin、E. V. Novikova

  DOI：10.1023/a:1009590026768

  日期：——

  Crystal adducts of diethyldithiocarbamate complexes of zinc(II) and copper(II) with piperidine (Pip) were synthesized, and their solvated forms with the outer-sphere molecules of benzene, pyridine (Py), and morpholine (Mf) were obtained. Adducts with composition [M(Pip)(Edtc)(2)] . L (L = Py, Mf) were shown to he able, in principle, to give solvated isomers IM(L)(Edtc)(2)] . Pip with the Pip molecule arranged in the outer sphere. The composition, structure, and properties of the obtained adducts were studied by EPR, high-resolution solid-state C-13, N-15 NMR spectroscopy. Solvation of all three adducts with Pip, Mf, and Py was found to result in a substantial increase in the contribution of the trigonal-bipyramidal component to the geometry of a copper coordination pentahedron. In addition, for adducts with Mf and Py, a structural unification of two isomeric forms was observed at the molecular level to yield a qualitatively new (rather than intermediate) state. It was shown that in all solvated forms of the copper(II) adducts, the metal polyhedron is mainly a trigonal bipyramid, while the square-pyramidal contribution is insignificant. Results of(C-13, N-15) NMR studies revealed a structural inequivalence of the Edtc(-) ligands in the zinc adducts under investigation.