[Rh₂(4-Cl-2-OMePhCO₂)₄(THF)₂] | 1497417-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [Rh₂(4-Cl-2-OMePhCO₂)₄(THF)₂]
• 英文别名: [Rh₂(4-chloro-2-methoxybenzoic acid(-H))₄(THF)₂]；4-Chloro-2-methoxybenzoate;oxolane;rhodium(2+)
• CAS: 1497417-64-7
• 化学式: C₄₀H₄₀Cl₄O₁₄Rh₂
• 分子量: 1092.37
• InChiKey: RAFLGAANJUUJPD-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  4.44
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  216
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  酚嗪 、 二氯甲烷 、 [Rh₂(4-Cl-2-OMePhCO₂)₄(THF)₂] 以 苯 为溶剂， 以45%的产率得到[Rh₂(4-Cl-2-OMePhCO₂)₄(phz)]*(CH₂Cl₂)
  参考文献：
  名称：

  Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru₂^II,II]/[Rh₂^II,II] Dimers

  摘要：

  Supporting Information ABSTRACT: The design of porous materials that undergo selective adsorption of a specific molecule is a critical issue in research on porous coordination polymers or metal organic frameworks. For the purpose of the selective capture of molecules possessing an electron-acceptor character such as nitric oxide (NO), one-dimensional chain compounds possessing a high donor character have been synthesized using 4-chloroanisate-bridged paddlewheel-type dimetal(II, II) complexes with M = Ru and Rh and phenazine (phz) as the chain linker: [M-2(4-Cl-2-OMePhCO2)(4)(phz)]center dot n(CH2Cl2) (M = Ru, 1; Rh, 2). These compounds are isostructural and are composed of chains with a [-{M-2}-phz-] repeating unit and CH2Cl2 occupying the void space between the chains. Compounds 1 and 2 change to a new phase (1-dry and 2-dry) upon evacuating the crystallization solvent (CH2Cl2) and almost lose their pores in the drying process: no void space in 1-dry and 31.8 angstrom(3), corresponding to 2.9% of the cell volume, in 2-dry. Nevertheless, the compounds show a unique gas accommodation ability. Accompanied by a structural transformation (i.e., the first gate-opening) at low pressures of <10 kPa, both compounds show a typical physisorption isotherm for 02 (90 K) and CO2 (195 K), with the adsorption amount of ca. 2-4 gas molecules per [M-2] unit. In addition, the adsorption isotherm for NO (121 K) involves the first gate-opening followed by a second gate-opening anomaly at NO pressures of approximate to 52 kPa for 1-dry and approximate to 21 kPa for 2-dry. At the first gate-opening, the absorbed amount of NO is ca. 4 molecules per [M-2] unit, and then it reaches 8.4 and 6.3 for 1-dry and 2-dry, respectively, at 95 kPa. Only the isotherm for NO exhibits hysteresis in the desorption process, and some of the NO molecules are trapped in pores even after evacuating at 121 K, although it recovers to the original dried sample on heating to room temperature. The adsorbed NO molecules accrue a significant electron donation from the host framework even in the [Rh-2] derivative, indicating that such simple porous compounds with electron-donor characteristics are useful for the selective adsorption of NO.

  DOI：

  10.1021/ja4076056
• 作为产物：
  描述：

  四氢呋喃 、 tetra[μ-acetato-bis(methanol)]dirhodium 、 4-氯-2-甲氧基苯甲酸 以 二乙二醇二甲醚 为溶剂， 反应 2.0h， 以52%的产率得到[Rh₂(4-Cl-2-OMePhCO₂)₄(THF)₂]
  参考文献：
  名称：

  Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru₂^II,II]/[Rh₂^II,II] Dimers

  摘要：

  Supporting Information ABSTRACT: The design of porous materials that undergo selective adsorption of a specific molecule is a critical issue in research on porous coordination polymers or metal organic frameworks. For the purpose of the selective capture of molecules possessing an electron-acceptor character such as nitric oxide (NO), one-dimensional chain compounds possessing a high donor character have been synthesized using 4-chloroanisate-bridged paddlewheel-type dimetal(II, II) complexes with M = Ru and Rh and phenazine (phz) as the chain linker: [M-2(4-Cl-2-OMePhCO2)(4)(phz)]center dot n(CH2Cl2) (M = Ru, 1; Rh, 2). These compounds are isostructural and are composed of chains with a [-{M-2}-phz-] repeating unit and CH2Cl2 occupying the void space between the chains. Compounds 1 and 2 change to a new phase (1-dry and 2-dry) upon evacuating the crystallization solvent (CH2Cl2) and almost lose their pores in the drying process: no void space in 1-dry and 31.8 angstrom(3), corresponding to 2.9% of the cell volume, in 2-dry. Nevertheless, the compounds show a unique gas accommodation ability. Accompanied by a structural transformation (i.e., the first gate-opening) at low pressures of <10 kPa, both compounds show a typical physisorption isotherm for 02 (90 K) and CO2 (195 K), with the adsorption amount of ca. 2-4 gas molecules per [M-2] unit. In addition, the adsorption isotherm for NO (121 K) involves the first gate-opening followed by a second gate-opening anomaly at NO pressures of approximate to 52 kPa for 1-dry and approximate to 21 kPa for 2-dry. At the first gate-opening, the absorbed amount of NO is ca. 4 molecules per [M-2] unit, and then it reaches 8.4 and 6.3 for 1-dry and 2-dry, respectively, at 95 kPa. Only the isotherm for NO exhibits hysteresis in the desorption process, and some of the NO molecules are trapped in pores even after evacuating at 121 K, although it recovers to the original dried sample on heating to room temperature. The adsorbed NO molecules accrue a significant electron donation from the host framework even in the [Rh-2] derivative, indicating that such simple porous compounds with electron-donor characteristics are useful for the selective adsorption of NO.

  DOI：

  10.1021/ja4076056