diiodobis(tetrahydrothiophene)palladium(II) | 26923-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: diiodobis(tetrahydrothiophene)palladium(II)
• 英文别名: trans-[PdI2(tetramethylene sulphide)2]
• CAS: 26923-67-1
• 化学式: C₈H₁₆I₂PdS₂
• 分子量: 536.576
• InChiKey: QBQLKWBLEYJJNQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  四氢噻吩 、 potassium tetraiodopalladate(II) 以 水 为溶剂， 以71%的产率得到diiodobis(tetrahydrothiophene)palladium(II)
  参考文献：
  名称：

  钯（II）和铂（II）配合物中配体环大小的变化对硫反型势垒的影响。动态氢1核磁共振研究

  摘要：

  该系列复合物的反式- [MX 2 {[图形省略] R 2）Ñ } 2 ]（M =钯II或Pt II ; X =氯，溴，或I; R = H和/或Me; ñ = 2 –5）已合成，并且已通过带形拟合方法对它们的可变温度nmr光谱进行了精确分析，以确定在硫原子处发生金字塔倒置的势垒。氯配合物中的势垒能比相应的溴化物高2–3 kJ mol –1，而溴化物则为4–5 kJ mol –1高于碘复合物。金字塔形反转能量非常依赖于配体环的大小。五元环和六元环的那些与线性硫化物的配合物相当，但是四元环的配合物显示出金字塔形硫转化阻挡层的显着提高。对于三元环硫化物的络合物，直到分解开始的温度都没有检测到反转，这是在二烷基硫化物金属络合物中这种刚性的第一个报道实例。

  DOI：

  10.1039/dt9790001994

文献信息

• Elding, L. I.; Noren, B.; Oskarsson, A., Zeitschrift fur Kristallographie
  作者：Elding, L. I.、Noren, B.、Oskarsson, A.、Svensson, C.

  DOI：——

  日期：——
• <i>trans</i> influence on bond distances. Structures of <i>trans</i>-diiodobis(tetrahydrothiophene)palladium(II) and <i>trans</i>-diiodobis(tetrahydrothiophene)platinum(II)
  作者：Å. Oskarsson、B. Norén、C. Svensson、L. I. Elding

  DOI：10.1107/s010876819000622x

  日期：1990.12.1

  Crystals of trans-diiodobis(tetrahydrothiophene)-palladium(II) and trans-diiodobis(tetrahydrothiophene)platinum(II) were prepared by dissolving the appropriate metal iodide in tetrahydrothiophene at 353 K and cooling to room temperature. Crystal data at room temperature (Mo K-alpha, lambda = 0.7107-angstrom) are: [PdI2(C4H8S)2], M(r) = 536.54, triclinic, P1BAR, a = 8.4920 (8), b = 8.8248 (1), c = 9.4580 (11) angstrom, alpha = 97.595 (9), beta = 91.963 (9), gamma = 99.482 (9)-degrees, V = 691.8 (1) angstrom-3, Z = 2, D(x) = 2.576 Mg m-3, mu = 5.997 mm-1, F(000) = 496, R = 0.028 for 2090 unique reflections with I > 3-sigma-(I); [PtI2(C4H8S)2], M(r) = 625.24, triclinic, P1BAR, a = 7.889 (2), b = 8.676 (1), c = 10.616 (2) angstrom, alpha = 103.75 (1), beta = 90.36 (1), gamma = 94.70 (2)-degrees, V = 703.2 (2) angstrom-3, Z = 2, D(x) = 2.953 Mg m-3, mu = 14.67 mm-1, F(000) = 560, R = 0.024 for 3988 reflections with I > 3-sigma-(I). Both compounds consist of van-der-Waals-packed mononuclear trans-[MI2(C4H8S)2] complexes. There are two centrosymmetric metal complexes in the asymmetric unit of the Pt compound but only one pseudoplanar complex in the Pd compound. The acceptor-donor distances are Pd-I 2.603 (1), 2.625 (1); Pd-S 2.316 (2), 2.329 (2); Pt-I 2.606 (1), 2.616 (1); and Pt-S 2.309 (1), 2.310 (1) angstrom. A literature survey of compounds in which ligand-I or -S (in thioethers) atoms are trans to themselves shows average M-I and M-S distances of Pd-I 2.605 (20), Pd-S 2.324 (15), Pt-I 2.609 (9) and Pt-S 2.313 (13) angstrom. The spread of the M-I and M-S distances is significantly increased if complexes are included where I or S are not trans to themselves, indicating that for some donor atoms the trans influence dominates over other factors such as the cis influence and packing forces.