| 861113-75-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 861113-75-9
• 化学式: C₃₀H₅₈P₂PtS₂
• 分子量: 739.95
• InChiKey: LOGPXIRODQQDBR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  11.23
• 重原子数：
  35.0
• 可旋转键数：
  20.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  1,2-苯二硫醇 、 trans-dichloro-bis(tri-n-butylphosphine)platinum(II) 在 N(C₂H₅)3 作用下， 以 二氯甲烷 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Magnitudes and Orientations of ³¹P Chemical Shielding Tensors in Pt(II)−Phosphine Complexes and Other Four-Fold Coordinated Phosphorus Sites

  摘要：

  P-31 MAS and double-quantum filtered P-31 MAS NMR experiments at and near the n = 0 rotational resonance condition, as well as off-magic angle spinning P-31 NMR experiments on two polycrystalline samples of Pt(II)-phosphine thiolate complexes are reported. Numerical simulations yield complete descriptions of the two P-31 spin pairs. Pt-195 MAS NMR spectra are straightforward to obtain but sensitively reflect only some parameters of the Pt-195(P-31)(2) three-spin system. Based on the P-31 NMR results obtained and in conjunction with a large body of literature data and irrespective of the chemical nature of the specimen, a unified picture of the dominating motif of P-31 chemical shielding tensor orientations of phosphorus sites with 4-fold coordination is identified as a local (pseudo)plane rather than the directions of P element bond directions.

  DOI：

  10.1021/jp045353p