mer,cis-[RuCl3(diphenyl sulfoxide)3] | 165338-21-6

• 英文名称: mer,cis-[RuCl3(diphenyl sulfoxide)3]
• CAS: 165338-21-6；165338-22-7；165525-57-5
• 化学式: C₃₆H₃₀Cl₃O₃RuS₃
• 分子量: 814.259
• InChiKey: BZMJBSRNUSHVLG-UHFFFAOYSA-K

计算性质

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

• 作为产物：
  描述：

  水合三氯化钌 、 二苯基亚砜 在 HCl 作用下， 以 乙醇 为溶剂， 以55%的产率得到mer,cis-[RuCl3(diphenyl sulfoxide)3]
  参考文献：
  名称：

  Steric properties of sulfoxide ligands. Synthesis and crystal structure of mer-[RuCl3(Ph2So)3]

  摘要：

  Solid and circular cone angles and ligand profiles have been calculated for some sulfoxides, showing that S-bonded ligands are markedly bulkier than O-bonded ligands. An application of the cone angles to complexes of Ru-II and Ru-III showed that the bonding mode of sulfoxides appears to be the result of a balance between electronic and steric effects. The complex mer-[RuCl3(dpso)(3)] (dpso=Ph(2)SO) has been synthesized and structurally characterized: triclinic, space group P ($) over bar 1, Z=2 with a=10.315(3), b=13.093(4), c=15.692(5) Angstrom, alpha=102.98(2), beta=106.79(1), gamma=102.17(2)degrees. Two of the three sulfoxides are O- and one is S-bonded. One dpso-O is trans to dpso-S, while the other is trans to Cl. The co-ordination bond distances are consistent with the trans-influence order O < Cl < S. Strain-energy and conformational-entropy terms of three isomers of mer-[RuCl3(dpso)(3)] have been evaluated through molecular mechanics calculations. The energy difference of 7.6 kcal mol(-1) between the characterized complex and the linkage isomer with two trans dpso-S ligands indicates that the isomer isolated is probably favoured thermodynamically and suggests that the interligand steric interactions play an important role in the isomer stability.

  DOI：

  10.1039/dt9950001653