strontium (II) Salicylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: strontium (II) Salicylate
• 英文别名: strontium salicylate；strontium;2-carboxyphenolate
• 化学式: 2C₇H₅O₃*Sr
• 分子量: 361.85
• InChiKey: LTKBCYIGWHZKHV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  水杨酸 在 strontium(II) carbonate 作用下， 以 水 为溶剂， 反应 4.0h， 以86%的产率得到strontium (II) Salicylate
  参考文献：
  名称：

  EP2995312

  摘要：

  公开号：

文献信息

• Alkaline-Earth Metal Carboxylates Characterized by ⁴³Ca and ⁸⁷Sr Solid-State NMR: Impact of Metal-Amine Bonding
  作者：Kevin M. N. Burgess、Yang Xu、Matthew C. Leclerc、David L. Bryce

  DOI：10.1021/ic402658d

  日期：2014.1.6

  A series of calcium and strontium complexes featuring aryl carboxylate ligands has been prepared and characterized by alkaline-earth (Ca-43 and Sr-87) solid-state NMR experiments in a magnetic field of 21.1 T. In the 11 compounds studied as part of this work, a range of coordination motifs are observed including nitrogen atom binding to Ca2+ and Sr2+, a binding mode which has not been investigated previously by Ca-43 or Sr-87 solid-state NMR. Ca-43 isotopic enrichment has enabled the full characterization of the Ca-43 electric field gradient (EFG) and chemical shift tensors of the two calcium sites in calcium p-aminosalicylate (Ca(pams)), where both NMR interactions are affected by the presence of a nitrogen atom in the first coordination sphere of one of the metal sites. The Ca-43 isotropic chemical shift is sensitive to the Ca-N. distance as exemplified by the NMR parameters of a second form of Ca(pams) and density functional theory (DFT) calculations. Studies of the strontium analogue, Sr(pams), confirm a similar sensitivity of the Sr-87 EFG tensor to the presence or absence of nitrogen in the first coordination sphere. To our knowledge, this is the first systematic Sr-87 NMR study of strontium complexes featuring organic ligands. The vertical bar C-Q(Sr-87)vertical bar values are found to be sensitive to the coordination number about Sr2+. In general, this work has also established a larger data set of reliable experimental vertical bar C-Q(Ca-43)vertical bar values which correlate well with those obtained using gauge-including projector-augmented-wave (GIPAW) DFT calculations. It is found that the use of a recently recommended quadrupole moment for Ca-43, -44.4 mbarn, improves the agreement with experimental values. This contribution lays the groundwork for the interpretation of Ca-43 and Sr-87 NMR spectra of more challenging systems, particularly where nitrogen alkaline earth metal bonding is occurring.
• EP2995312
  申请人：——

  公开号：——

  公开（公告）日：——