cis-[Rh(2-(N-methylamino)tropone(-H))(CO)(PPh3)] | 960497-72-7

• 英文名称: cis-[Rh(2-(N-methylamino)tropone(-H))(CO)(PPh3)]
• CAS: 960497-72-7；960585-96-0
• 化学式: C₂₇H₂₃NO₂PRh
• 分子量: 527.364
• InChiKey: JGKDMDDGTVBBEK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  2-(N-methylamino)tropone 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 cis-[Rh(2-(N-methylamino)tropone(-H))(CO)(PPh3)]
  参考文献：
  名称：

  Synthesis, structure and theoretical study of two rhodium(I) complexes [Rh(TropNMe)(CO)(PPh3)] and [Rh(Trop)(CO)(PPh3)]·Acetone

  摘要：

  Rhodium(I) complexes [Rh(TropNMe)(CO)(PPh3)] (TropNMe = 2-(N-methylamino)tropone, ONC8H9) (1) and [Rh(Trop)(CO)(PPh3)] center dot Acetone (Trop = Tropolone, O2C7H6) (2) have been synthesized and characterized by single-crystal X-ray diffraction analysis. A distorted square planar geometry about the rhodium(I) metal centre is observed in both compounds 1 and 2. Substitution of an oxygen atom with a methyl functionalized nitrogen atom does not significantly alter the bond distances and angles in the rhodium(l) complex. A theoretical study at B3LYP/6-31G(d) (main group) and LANL2DZ (Rh) level is presented to clarify the solid state behaviour of these complexes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.039