[Mo3S4Cl3(dmpe)3]SnCl3 | 1004985-17-4

• 英文名称: [Mo3S4Cl3(dmpe)3]SnCl3
• CAS: 1004985-17-4
• 化学式: C₁₈H₄₈Cl₃Mo₃P₆S₄*Cl₃Sn
• 分子量: 1197.93
• InChiKey: JPPHNVQLMVYDMX-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  tin(II) chloride dihdyrate 、 [Mo3S4Cl3(dmpe)3]PF6 、 四丁基氯化铵 以 乙醇 、 二氯甲烷 为溶剂， 以65%的产率得到[Mo3S4Cl3(dmpe)3]SnCl3
  参考文献：
  名称：

  Heterometallic Cuboidal Clusters M₃M‘Q₄ (M = Mo, W; M‘= Sn, Pb, As, Sb; Q = S, Se):  From Coordination Compounds to Supramolecular Adducts

  摘要：

  Reactions of the incomplete cuboidal clusters [M(3)Q(4)(acaC)(3)(PY)(3)](+) (M = Mo, W; Q = S, Se) with group 14 and 15 metal complexes with the S(2)p(0) electronic configuration (AsPh3, SbPh3, SbCl3, Sbl(3), Pbl(3)(-), SnCl3-) led to heterometal incorporation with the formation of cuboidal clusters of the type [M-3(EX3)Q(4)(acac)(3)(py)(3)](n+) (n = 0 for Sn, Pb; n = 1 for As, Sb), whose structures were determined by X-ray diffraction. The cuboidal clusters can be described as complexes of the cluster tridentate ligand [M(3)Q(4)(acac)(3)(PY)(3)](+) (mu(2)-chalcogen atoms as donors) with the EX3, where the E atom attains a distorted octahedral coordination. Analysis based on the bond distances E-Q gives the following sequence of affinity: As < Sb; Pb < Sn approximate to Sb; SbPh3 < Sbl(3) approximate to SbCl3; W3S4 < W3Se4. Interaction energies at the gas phase between [W(3)Q(4)(acac)(3)(py)(3)](+) (Q = S, Se) and SbX3 (X = 1, Ph) were computed at the DFT level (BP86/TZP). The magnitude of the interaction depends strongly on the substituents at Sb, and the replacement of iodine by the phenyl group decreases the interaction energy from -9.21 to -2.70 kcal/mol and from -12.73 to -3.85 kcal/mol for the W3SbS4 and W3SbSe4 cores, respectively.

  DOI：

  10.1021/ic701581u