disodium maleonitrile-1,2-dithiolate | 23953-37-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: disodium maleonitrile-1,2-dithiolate
• 英文别名: maleonitriledithiolate dianion；Na2mnt；cis-1,2-Dicyano-1,2-ethylen-dithiolat；(Z)-1,2-dicyanoethene-1,2-dithiolate
• CAS: 23953-37-9
• 化学式: C₄N₂S₂
• 分子量: 140.189
• InChiKey: DMDOIBWPFWJPQJ-ARJAWSKDSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.34
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.58
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  disodium maleonitrile-1,2-dithiolate 、 technetium(V) gluconate 生成 {TcO(MNT)2}(1-)
  参考文献：
  名称：

  氧tech（V）双（二硫拉托）配合物

  摘要：

  摘要利用配体交换反应制备了十种双（二硫代）氧代tech酸酯（V）配合物。从水溶液或水溶液/乙醇溶液中的Tc（V）葡萄糖酸酯开始，已经获得了具有饱和，烯属和芳族二硫醇的配合物。报告了所得化合物的质量，红外，核磁共振和紫外可见数据。

  DOI：

  10.1016/s0020-1693(00)90099-9

文献信息

• Observation of intramolecular vibrations cooperating with the magnetic phase transition in a nickel-bis-dithiolene compound
  作者：Shan-Shan Yu、Hai-Bao Duan、Xuan-Rong Chen、Zheng-Fang Tian、Xiao-Ming Ren

  DOI：10.1039/c2dt31519j

  日期：——

  A new one-dimensional (1-D) ion-pair compound, [1,7-bis(1-methylimidazolium)heptane][Ni(mnt)2]2 (mnt2− = maleonitriledithiolate), was synthesized and characterized structurally and magnetically. This compound shows a spin-Peierls-type transition at around 235 K. Its crystal structure belongs to the monoclinic system with space group C2/c and the magnetic [Ni(mnt)2]− anions form uniform stacks in the high-temperature (HT) phase. The crystal undergoes a transformation into the triclinic space group P accompanied by the magnetic transition and the anion stacks become dimerized in the low-temperature (LT) phase. The entropy changes (ΔS) are estimated to be 0.772 J K−1 mol−1 for the spin-Peierls-type transition, from DSC data, which is much less than the spin entropy change (ΔS = R ln 2 ≈ 5.76 J K−1 mol−1), indicating that a substantial short-range order persists above the transition temperature. The variable temperature IR spectra showed that the peak positions and intensities for the bands near 1160 and 725 cm−1, which correspond respectively to the ν(C–C) + ν(C–S) mode of the mnt2− ligands and the rocking vibration mode of the methylene group γr(CH2) in the cation moiety, undergo an abrupt change at around 240 K, close to the transition temperature. This observation demonstrates that the intramolecular vibrations of both the anion and the counter-cation probably couple with the spins to cooperate with the spin-Peierls-type phase transition in this 1-D spin system.

  一种新的单维（1-D）离子对化合物[1,7-双（1-甲基咪唑）庚烷][Ni（mnt）2]2（mnt2-=马来酰亚胺二硫代甲酸盐）被合成，并对其结构和磁性进行了表征。该化合物在235 K左右表现出自旋-佩尔尔斯型转变。其晶体结构属于单斜晶系，空间群为C2/c，磁性[Ni（mnt）2]阴离子在高温（HT）相中形成均匀堆积。在低温（LT）相中，晶体发生转变，转变为三斜晶系空间群P，伴随着磁性转变，阴离子堆积形成二聚体。根据DSC数据，自旋-佩尔尔斯型转变的熵变化（ΔS）估计为0.772 J K-1 mol-1，远小于自旋熵变化（ΔS = R ln 2 ≈ 5.76 J K-1 mol-1），这表明在转变温度以上存在大量短程有序。可变温度红外光谱显示，在1160和725 cm-1附近的波段的峰值位置和强度分别在240 K左右发生突变，接近转变温度。这一观察结果表明，阴离子和反离子分子内的振动可能与自旋耦合，以配合该1-D自旋
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Tc: SVol.2, 13.6.5.3.3, page 230 - 231
  作者：

  DOI：——

  日期：——
• Preparation and characterization of tetraethylammonium bis(1, 2-dicyanoethylenedithiolato)oxotechnetate(V)
  作者：H. Spies、B. Johannsen

  DOI：10.1016/s0020-1693(00)89415-3

  日期：1979.1
• Pandey, D. S.; Khan, M. I.; Agarwala, U. C., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1987, vol. 26, # 7, p. 570 - 573
  作者：Pandey, D. S.、Khan, M. I.、Agarwala, U. C.

  DOI：——

  日期：——
• Oxotechnetium(V)bis(dithiolato) complexes
  作者：Hartmut Spies、Bernd Johannsen

  DOI：10.1016/s0020-1693(00)90099-9

  日期：1981.1

  Abstract A series of ten bis(dithiolato)oxotechnetate(V) complexes has been prepared using ligand exchange reaction. Starting from Tc(V) gluconate in aqueous or aqueous/ethanolic solution, complexes with saturated, olefinic and aromatic dithioles have been obtained. Mass, infrared, n.m.r., and UV-visible data of the resulting compounds are reported.

  摘要利用配体交换反应制备了十种双（二硫代）氧代tech酸酯（V）配合物。从水溶液或水溶液/乙醇溶液中的Tc（V）葡萄糖酸酯开始，已经获得了具有饱和，烯属和芳族二硫醇的配合物。报告了所得化合物的质量，红外，核磁共振和紫外可见数据。