[Rh(3-[(4'-(4''-n-decyloxybenzoyl)oxy)benzyl]-2,4-pentanedionate)(CO)2] | 228703-61-5

• 英文名称: [Rh(3-[(4'-(4''-n-decyloxybenzoyl)oxy)benzyl]-2,4-pentanedionate)(CO)2]
• CAS: 228703-61-5
• 化学式: C₃₁H₃₇O₇Rh
• 分子量: 624.536
• InChiKey: ULWLRPQRBZUMLU-UHFFFAOYSA-N

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：

  di(rhodium)tetracarbonyl dichloride 、 3-[(4'-((4''-n-decyloxybenzoyl)oxy)benzoyl)oxy]-2,4-pentanedione 在 sodium acetate 作用下， 以 甲醇 为溶剂， 以85%的产率得到[Rh(3-[(4'-(4''-n-decyloxybenzoyl)oxy)benzyl]-2,4-pentanedionate)(CO)2]
  参考文献：
  名称：

  Rhodium(I) and Iridium(I) Complexes Containing β-Diketonate or Pyrazole Ligands. Liquid Crystal and Nonlinear Optical Properties

  摘要：

  Square-planar rhodium or iridium "n-decyloxy-beta-diketonate" complexes of the general formula [M(beta-diketonate)(CO)(2)] (M = Ph (1-3) or Ir (4-6)) and pyrazole-rhodium derivatives of the type [RhCl(CO)(2)(pyrazole)] (7-9) have been prepared and their liquid-crystalline properties studied. Compounds 1 and 4 show monotropic smectic A phases, and complex 7 shows a monotropic nematic phase. The behavior of the melting points seems to be related to the X group directly bonded at the 3-position of the beta-diketonate ligand (1-6) or at the 4-position of the pyrazole ring (7-9). When X = OOC higher melting points are obtained. Two different polymorphs, red (M Ph) or blue (M = Ir) and yellow (M = Ph, Ir), have been obtained for complexes 1, 4, and 6. The yellow form for compound 4 (C31H35IrO9. CH3OH, monoclinic system, space group P2(1)/c (No. 14) with a = 26.991(6) Angstrom, b = 4.0093(8) Angstrom, c = 31.169(6) Angstrom, beta = 104.950(13)degrees, and Z = 4) has also been characterized by an X-ray single-crystal diffraction experiment in order to explain the influence of the packing arrangement in the formation of different polymorphs. Additionally, measurements of the first-order optical hyperpolarizability (beta) of the rhodium compounds and some of the precursor ligands using the EFISH technique have also been performed.

  DOI：

  10.1021/ic9814017