[NEt4][Cu(tert-butylthiolato)2] | 1035891-16-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [NEt4][Cu(tert-butylthiolato)2]
• CAS: 1035891-16-7
• 化学式: C₈H₁₈CuS₂*C₈H₂₀N
• 分子量: 372.162
• InChiKey: HIESSRNFZSYYHF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 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

• 作为产物：
  描述：

  四乙基氯化铵 、 叔丁基硫醇 、 copper(l) chloride 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以58%的产率得到[NEt4][Cu(tert-butylthiolato)2]
  参考文献：
  名称：

  Preparation and X-ray characterization of two-coordinate Cu(I) complex of aliphatic thiolato ligand: Effect of steric bulk on coordination features

  摘要：

  We have synthesized in a single-step procedure from available copper( I) precursor at RT two Cu(I) thiolato clusters of the formula [Cu(4)(mu-SCH(CH(3))(2))(6)](2) and [Cu(5)(mu-SC(CH(3))(3))(6)] as revealed by X-ray crystallography, where increased steric bulk leads to a bigger cage with some two-coordinate metal centers. In addition, we identified a mononuclear two coordinate thiolato complex with the bulkier ligand, of the formula NEt(4)[Cu(SC(CH(3))(3))(2)]. This is only the second example of such a complex of an aliphatic ligand that is structurally characterized. The X-ray structure reveals an S-Cu-S angle of 176.7-179.5 degrees, with Cu-S distances of 2.14 angstrom. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.03.002