2,5-Dioxa-13,16,19-trithiatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene | 354806-00-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5-Dioxa-13,16,19-trithiatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene
• CAS: 354806-00-1
• 化学式: C₂₀H₂₄O₂S₃
• 分子量: 392.607
• InChiKey: MKVOKZRDFAOXII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  94.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5-Dioxa-13,16,19-trithiatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene 、 silver perchlorate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  施主对具有O2S2X（X = S，O和NH）供体组的大环高氯酸银（I）配合物的超分子结构的影响。

  摘要：

  通过简单的一个供体向银的O（2）S（2）X-供体大环（L（1）：X = S，L（2）：X = O和L（3）：X = NH）的变化（I）高氯酸盐，已分离出四种具有不同拓扑结构的超分子复合物（1-3）；L（1）提供不含溶剂和阴离子的三明治复合物（1），否则L（2）和L（3）得到二聚体（2a），1-D聚合物（2b）和四聚体碗型（3）与溶剂或阴离子配位的配合物。

  DOI：

  10.1039/b506438d

文献信息

• Supramolecular copper(I) halide complexes of O2S2X (X = S, O and NH) macrocycles exhibiting dinuclear, 1D- and 2D-coordination polymeric structures
  作者：Minhye Jo、Joobeom Seo、Leonard F. Lindoy、Shim Sung Lee

  DOI：10.1039/b906474e

  日期：——

  The effect of varying donor X in otherwise structurally similar O2S2X-macrocycles (L1: X = S, L2: X = O and L3: X = NH) on the corresponding assembly reactions with Cu(I) halides has been demonstrated to yield three supramolecular complexes with different architectures: L1 resulted in a discrete dimeric complex (1), while L2 and L3 gave respectively 1D (2) and 2D (3) coordination polymers; the solid state photoluminescence of 3 is also described.

  研究证明，在结构相似的 O2S2X-大环（L1：X = S；L2：X = O 和 L3：X = NH）中改变供体 X 对与卤化铜（Cu(I) ）的相应组装反应的影响，可产生三种具有不同结构的超分子配合物：L1 生成了离散的二聚复合物（1），而 L2 和 L3 则分别生成了一维（2）和二维（3）配位聚合物。
• Donor-Set-Induced Coordination Sphere and Oxidation-State Switching in the Copper Complexes of O₂S₂X (X = S, O and NH) Macrocycles
  作者：Minhye Jo、Joobeom Seo、Moo Lyong Seo、Kyu Seong Choi、Seong Keuck Cha、Leonard F. Lindoy、Shim Sung Lee

  DOI：10.1021/ic901009r

  日期：2009.9.7

  Reaction of the O2S2X-macrocycles (L-1, X = S; L-2, X = NH; and L-3, X = O) with Cu(ClO4)(2)center dot 6H(2)O affords 1:1 (M/L) square-pyramidal Cu(II) complexes when X = S and NH but yields a rare 1:2 sandwich-type tetrahedral Cu(I) complex when X = O; the X-ray structures of all three complexes are reported. Substitution of O for S or NH in the ligand structure thus results in a donor-set-induced II/I oxidation state change of the copper, and this is accompanied by a square-pyramidal to tetrahedral topological change in the solid state. Spectrophotometric titration data (including Job plots) indicate that similar behavior occurs in acetonitrile. In further experiments aimed at investigating the generality of the above redox behavior, it was shown that the 16- and 18-membered analogs of the 17-membered L-3 also induce a similar II/I redox change in acetonitrile. It was demonstrated for L-3 that the above-induced Cu(II/I) change is also maintained when the reaction solvent is changed from acetonitrile to methanol or ethanol.