bis(diethyldithiocarbamate)copper(III) | 46763-10-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: bis(diethyldithiocarbamate)copper(III)
• 英文别名: copper(II) bis(diethyldithiocarbamate)(1+)；copper(III) bis(diethyldithiocarbamate)(1+)；Cu(II) bis(diethyl dtc)(1+)；Cu(II) bis(N,N-diethyldithiocarbamate)(1+)
• CAS: 46763-10-4
• 化学式: C₁₀H₂₀CuN₂S₄
• 分子量: 360.092
• InChiKey: CXKZUEJSVZKRFB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  二乙基二硫代氨基甲酸铜 以 solid matrix 为溶剂， 生成 bis(diethyldithiocarbamate)copper(III)
  参考文献：
  名称：

  Evidence for metal to solvent charge transfer photooxidation of iron, cobalt, nickel and copper dithiocarbamato derivatives in poly(vinylchloride) matrices at ca. 90K: New insights into the bonding of late transition metals with dithiocarbamate ligands through DFT modeling

  摘要：

  Photolysis of FeL3, CoL3, NiL2, CuL2 and ZnL2, where L = S2CNEt2, in PVC matrices at ca. 90 K results in photooxidation of the metal complexes through irreversible metal to solvent charge transfer. DFT quantum mechanical studies of the S2CNMe2 anion and the Ni, Cu and Zn derivatives were carried out, providing a more nuanced understanding of the bonding of the dithiocarbamate ligand than suggested by classical resonance arguments. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.08.017