[(tri-tert-butoxysilanethiolato)(H2O)2Zn(μ-tri-tert-butoxysilanethiolato)Zn(acetylacetonato)(tri-tert-butoxysilanethiolato)] | 355841-09-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [(tri-tert-butoxysilanethiolato)(H2O)2Zn(μ-tri-tert-butoxysilanethiolato)Zn(acetylacetonato)(tri-tert-butoxysilanethiolato)]
• CAS: 355841-09-7
• 化学式: C₄₁H₉₂O₁₃S₃Si₃Zn₂
• 分子量: 1104.41
• InChiKey: OXJJCEBHYBRNTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  碳酸甲丙酯 、 [(tri-tert-butoxysilanethiolato)(H2O)2Zn(μ-tri-tert-butoxysilanethiolato)Zn(acetylacetonato)(tri-tert-butoxysilanethiolato)] 以 乙腈 为溶剂， 生成 Zn(tri-tert-butoxysilanethiolato)2(α-picoline)
  参考文献：
  名称：

  Formation, crystal and molecular structures of heteroleptic zinc(II) tri-tert-butoxysilanethiolates with ZnNO2S2 and ZnN2S2 coordination pattern

  摘要：

  Five zinc tri-tert-butoxysilanethiolates containing heterocyclic, aromatic bases coordinated to zinc ion were synthesized. All obtained complexes are monomeric with ZnS2NO2 or ZnS2N2 core and formula: Zn(SSi(OBu')(3))(2)L, where L is alpha-picoline (pic), 2,4-lutidine (lut) or N-methylimidazole (meim) or Zn(SSi(OBu')(3))(2)L-2 where L is pyridine (py) or N-methylimidazole. The complexes are formed in the two-stage synthesis. First zinc acetyloacetonate Zn(acac)2 reacts with tri-tert-butoxysilanethiol with the formation of [Zn{mu-SSi(OBu')(3)}(acac)](2) [1]. Subsequent addition of heterocycle leads to decomposition of [Zn{mu-SSi(OBu')(3)}(acac)](2) and complexes Zn(SSi(OBu')(3))(2)L or Zn(SSi(OBu')(3))(2)L-2 are formed. Crystal structure determinations of the obtained complexes reveal distorted tetrahedral (Zn(SSi(OBu')(3))(2)L-2) or bipyramidal (Zn(SSi(OBu')(3))(2)L) coordination of zinc atom. In the case of Zn(SSi(OBu')(3))(2)L the immediate environment of zinc atom consists of two thiolate sulfur atoms, aromatic nitrogen and two oxygen atoms from tert-butoxy groups of tri-tert-butoxysilanethiolate completing coordination sphere. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.06.005
• 作为产物：
  描述：

  tri-tert-butoxysilanethiol 、 zinc(II) acetylacetonate 以 乙腈 为溶剂， 以36%的产率得到[(tri-tert-butoxysilanethiolato)(H2O)2Zn(μ-tri-tert-butoxysilanethiolato)Zn(acetylacetonato)(tri-tert-butoxysilanethiolato)]
  参考文献：
  名称：

  Zinc tri-tert-butoxysilanethiolates. Syntheses, properties and crystal and molecular structures of [Zn{μ-SSi(OBut)3}(acac)]2 and [{(ButO)3SiS}(H2O)2Zn{μ-SSi(OBut)3}Zn(acac){SSi(OBut)3}]

  摘要：

  Heteroleptic, neutral tri-tert-butoxysilanethiolates of zinc, incorporating acetylacetonate (1) or acetylacetonate and a ater (2) as additional ligands, have been prepared by a reaction of zinc acetylacetonate with tri-tert-butoxysilanethiol in acetonitrile and characterized by IR, NMR and MS techniques. Crystal and molecular structures have been determined by single crystal X-ray structural analysis. Both are bimetallic with a distorted tetrahedral ligand arrangement at the zinc and ZnO2S2 core. Complexes 1 and 2 are the first structurally characterized thiolates where the metal is also bonded to acetylacetonate and 2 is the first neutral aqua-ligated zinc thiolate. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00748-3