cis-[RhCl(CO)2(3,5-bis(3,4,5-trimethoxyphenyl)pyrazole)] | 918870-10-7

• 英文名称: cis-[RhCl(CO)2(3,5-bis(3,4,5-trimethoxyphenyl)pyrazole)]
• CAS: 918870-10-7
• 化学式: C₂₃H₂₄ClN₂O₈Rh
• 分子量: 594.811
• InChiKey: SRDJPOBHZUXJOP-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：

  3,5-bis(3,4,5-trimethoxyphenyl)-1H-pyrazole 、 di(rhodium)tetracarbonyl dichloride 以 二氯甲烷 为溶剂， 生成 cis-[RhCl(CO)2(3,5-bis(3,4,5-trimethoxyphenyl)pyrazole)]
  参考文献：
  名称：

  Supramolecular Structures and Columnar Mesophase Induction in Nondiscoid Pyrazoles by Complexation to Rhodium(I)

  摘要：

  Several new cis-[RhCl(CO)(2)(Ln)] complexes have been prepared using different polycatenar pyrazole ligands (Ln) in order to obtain columnar liquid crystalline arrangements. The topology of the ligand plays an essential role, and a mesophase is induced at room temperature from a nonmesogenic pyrazole only when it is symmetrically substituted with six decyloxy chains. The single-crystal structure of a methoxy-substituted analogue, 3,5-bis(3,4,5-trimethoxyphenyl) pyrazole, is formed by globular tetrameric structures held together by H-bonding. However, parallel dimers are present in the corresponding cis-chlorodicarbonylrhodium(I) complex, a situation that explains the induction of a columnar mesophase in the decyloxy-substituted complex. The XRD pattern of the mesophase is consistent with a hexagonal symmetry in which the columns are formed by molecules assembled in an antiparallel mode. The crystal-to-mesophase transition was also detected by spectroscopic techniques as a shift in the IR carbonyl stretching bands and the appearance of a charge-transfer band in the absorption spectrum with thermochromic behavior.

  DOI：

  10.1021/ic0614216