triphenylphosphine oxide cadmium iodide | 41493-93-0

• 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: triphenylphosphine oxide cadmium iodide
• 英文别名: cadmium(2+);diphenylphosphorylbenzene;diiodide
• CAS: 41493-93-0
• 化学式: C₃₆H₃₀CdI₂O₂P₂
• 分子量: 922.8
• InChiKey: JYZCNGTZDHGTCN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三苯基氧化膦 、 cadmium(II) iodide 以 乙醇 为溶剂， 生成 triphenylphosphine oxide cadmium iodide
  参考文献：
  名称：

  涉及加合物 MX2·P(C6H5)3O（M = Zn、Cd、Hg；X = Br、I）的热化学研究

  摘要：

  摘要 反应的标准摩尔焓 Δ r H m θ： MX 2 (s) + 2P(C 6 H 5 ) 3 O(s) = MX 2 ·2P(C 6 H 5 ) 3 O(s)，其中M = Zn、Cd、Hg 和 X = Br、I（HgI 2 除外）是通过测定金属卤化物、配体和加合物在量热溶剂中的溶解焓得到的，给出值：-(69.92±1.10) ); −(63.02±0.39)；-(16.02±0.56); -(30.55±0.87); 和-(16.48±1.14) kJ·mol -1 ，对于卤化物的序列：ZnBr 2 、ZnI 2 、CdBr 2 、CdI 2 和HgBr 2 。还测定了标准摩尔生成焓：-(622.2±6.8)、-(495.0±6.3)、-(556.2±6.5)、-(457.8±7.1) 和-(411.1±6.4) kJ·mol -1 ，对于上述序列以及标准反应焓： Δ d H m θ for

  DOI：

  10.1016/0021-9614(86)90103-5

文献信息

• Synthesis, crystal growth and characterization of a chiral compound (triphenylphosphine oxide cadmium iodide): A new semiorganic nonlinear optical material
  作者：R. Santhakumari、K. Ramamurthi、Helen Stoeckli-Evans、R. Hema、W. Nirmala

  DOI：10.1016/j.physb.2011.02.045

  日期：2011.5

  Synthesis of semiorganic material, triphenylphosphine oxide cadmium iodide (TPPOCdI), is reported for the first time. Employing the temperature reduction method, a crystal of size 16 x 7 x 6 mm(3) was grown from dimethyl sulfoxide (DMSO) solution. Three dimensional crystal structure of the grown crystal was determined by single crystal X-ray diffraction study. The complex crystallizes in the chiral orthorhombic space group P2(1)2(1)2(1). FTIR study was carried out in order to confirm the presence of the functional groups. UV-vis-NIR spectral studies show that the crystal is transparent in the wavelength range of 290-1100 nm. The microhardness test was carried out, and the load hardness was measured. Thermogravimetric and differential thermal analyses reveal the thermal stability of the crystal. Second harmonic generation efficiency of the powdered TPPOCdI, tested using Nd: YAG laser, is similar to 0.65 times that of potassium dihydrogen orthophosphate. (C) 2011 Elsevier B.V. All rights reserved.