mer-[Ir^IIICl₃(DMSO-κO)(DMSO-κS)₂] | 52586-91-1

• 英文名称: mer-[Ir^IIICl₃(DMSO-κO)(DMSO-κS)₂]
• CAS: 52586-91-1；15555-99-4；52586-88-6；10300-48-8；104068-52-2；10318-75-9
• 化学式: C₆H₁₈Cl₃IrO₃S₃
• 分子量: 532.984
• InChiKey: OVMWIYXRVWKABX-UHFFFAOYSA-K

计算性质

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

反应信息

• 作为产物：
  描述：

  二甲基亚砜 、 hydrogen hexachloroiridate hydrate 以 异丙醇 为溶剂， 反应 1.0h， 以72%的产率得到mer-[Ir^IIICl₃(DMSO-κO)(DMSO-κS)₂]
  参考文献：
  名称：

  New chloride-dimethylsulfoxide-iridium(III) complex with histaminium

  摘要：

  A new chloride-dimethylsulfoxide-iridium(III) complex with histaminium(1+) trans-[(IrCl4)-Cl-III(DMSO-kappa S)(Histamine-H)]center dot 2H(2)O (I) and a precursor mer-[(IrCl3)-Cl-III(DMSO-kappa O)(DMSO-kappa S)(2)] (2) have been synthesized and characterized by spectroscopic techniques and by single crystal X-ray diffraction studies. The nature of an interesting lp-pi/pi-pi/pi-lp assembly found in compound 1 has been deeply studied by means of DFT calculations and several computational tools as NCI (Non-Covalent Interaction) plot and Bader's theory of "atoms in molecules". (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.10.036

文献信息

• James, Brian R.; Morris, Robert H.; Kvintovics, Pal, Canadian Journal of Chemistry, 1986, vol. 64, p. 897 - 903
  作者：James, Brian R.、Morris, Robert H.、Kvintovics, Pal

  DOI：——

  日期：——