indium(III) tris(di-i-butyldithiocarbamate) | 85129-27-7

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: indium(III) tris(di-i-butyldithiocarbamate)
• 英文别名: tris(di-isobutyldithiocarbamate)indium(III)；indium(III) diisobutyldithiocarbamate；N,N-bis(2-methylpropyl)carbamodithioate;indium(3+)
• CAS: 85129-27-7
• 化学式: C₂₇H₅₄InN₃S₆
• 分子量: 727.962
• InChiKey: SGOAJNLBOSKNLT-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  6.92
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  indium(III) tris(di-i-butyldithiocarbamate) 以 neat (no solvent) 为溶剂， 生成 indium
  参考文献：
  名称：

  铟 (III) 的 N,N'-二烷基二硫代氨基甲酸酯螯合物：替代合成路线和热力学表征

  摘要：

  摘要 制备铟(III)、In(S 2 CNR 2 ) 3 (R = CH 3 , C 2 H 5 , n -C 3 H 7 , i -C 3 H) 的 N , N '-二烷基二硫代氨基甲酸酯配合物的替代合成路线如图7所示，从金属元素和单卤化铟中建立了n -C 4 H 9 和i -C 4 H 9 )，InX(X = Cl、Br和I)。考虑到最初产生的 XIn(S 2 C–NR 2 ) 2 的配体再分配反应，涉及 InX 的拟议反应机制可能源自 InX 插入四烷基秋兰姆二硫化物的硫-硫键。In(S 2 CNR 2 ) 3 (R = CH 3 , C 2 H 5 , n -C 3 H 7 , i -C 3 H 7 , n -C 4 H 9 和 i -C 4 H 的热分解9 ) 通过热重技术研究化合物，其中检测到两种途径，这取决于二烷基二硫代氨基甲酸根配体。第一步导致金属铟，或者在 2 S 3 中，作为

  DOI：

  10.1016/s0040-6031(98)00646-7
• 作为产物：
  描述：

  di-i-butylammonium di-i-butyldithiocarbamate 、 氯化铟 以 水 为溶剂， 生成 indium(III) tris(di-i-butyldithiocarbamate)
  参考文献：
  名称：

  摘要：

  The kinetics of thermal decomposition of solid In(S2CNR2)(3) complexes, (R=CH3, C2H5, n-C3H7, i-C3H7, n-C4H9 and i-C4H9), has been studied using isothermal and non-isothermal thermogravimetry. Superimposed TG/DTG/DSC curves show that thermal decomposition reactions occur in the liquid phase, except for the In(S2CNMe2)(3) and In(S2CNPr2i)(3) compounds.

  DOI：

  10.1023/a:1013971031425

文献信息

• Thermochemical parameters of dialkyldithiocarbamate chelates of indium(III)
  作者：Antonio Gouveia Souza、Marcelo Moizinho Oliveira、Amanda Duarte Gondim、Pedro Oliver Dunstan、Dulce Maria de A. Melo

  DOI：10.1016/s0040-6031(99)00322-6

  日期：2000.1

  A series of dialkyldithiocarbamate chelates of indium(III) of the general formula In(S2CNR2)(3), (R = C2H5, n-C3H7, i-C3H7, n-C4H9 and i-C4H9), were prepared from the reaction of hydrochloric acid solution of metallic indium and the corresponding dialkylammonium salt of the ligand at pH = 3-4, giving yields better than 78%. The standard molar enthalpies of formation of crystalline dialkyldithiocarbamate chelates of In(III), were determined through reaction-solution calorimetry in acetone, at 298.15 K. The corresponding standard molar enthalpies of sublimation were estimated by means of differential scanning calorimetry. By combining of the values from these enthalpies, the standard molar enthalpies of formation in the gas were obtained. From the standard molar enthalpies of formation of the gaseous chelates the homolytic 191.9 +/- 3.6, 167.9 +/- 3.1, 136.4 +/- 2.5, 174.3 +/- 3.0 and 189.1 +/- 3.9 kJ mol(-1), and heterolytic 938.1 +/- 3.6, 961.9 +/- 3.1, 993.5 +/- 2.7, 1003.0 +/- 3.0 and 1047.3 +/- 3.9 kJ mol(-1), mean indium-sulphur bond-dissociation enthalpies were calculated. (C) 2000 Elsevier Science B.V. All rights reserved.