Rh2(acetato)2[(C6H4)P(C6H5)2]2(H2O)2 | 138459-72-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Rh2(acetato)2[(C6H4)P(C6H5)2]2(H2O)2
• CAS: 138459-72-0
• 化学式: C₄₀H₃₈O₆P₂Rh₂
• 分子量: 882.497
• InChiKey: XGONFNCPNLKBNX-UHFFFAOYSA-L

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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Rh2(acetato)2[(C6H4)P(C6H5)2]2(H2O)2 、 一氧化碳 以 氯仿 为溶剂， 生成 Rh₂((C₆H₄)P(C₆H₅)2)2(O₂CCH₃)2(CO)2
  参考文献：
  名称：

  双核铑配合物中通过可逆轴向CO配位对一氧化碳进行灵敏和选择性显色传感

  摘要：

  通式 [Rh(2){(XC(6)H(3))P(XC(6)H(4))}(n) 的双核铑 (II) 化合物家族的 CO 传感探针的研究)(O(2)CR)(4-n)]·L(2) 含有一种或两种金属化膦（以头对尾排列）和不同的轴向配体。当含有 CO 的空气样品通过它们时，这些复合物的氯仿溶液经历了快速的颜色变化，从紫色变为黄色。双核铑配合物也被吸附在二氧化硅上并用作比色探针用于气相中的“肉眼”CO 检测。当含有铑探针的灰紫色二氧化硅固体暴露在含有不断增加的 CO 浓度的空气中时，观察到两种颜色，与两种不同产物的形成一致。结果与 CO 分子在一个轴向位置（粉红色-橙色）或两者（黄色）的轴向协调一致。3·(CO) ([Rh(2){(C(6)H(4))P(C(6)H(5))(2)}(2)(O(2)CCF (3))(2)]·CO)是通过单X射线衍射技术解决的。在所有情况下，所研究的双核铑配合物均显示出对 CO

  DOI：

  10.1021/ja206251r
• 作为产物：
  描述：

  {Rh2(μ-O2CMe)2{(C6H4)PPh2}{(C6H4)P(C6H5)2}(HO2CMe)2} 在 water 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 生成 Rh2(acetato)2[(C6H4)P(C6H5)2]2(H2O)2
  参考文献：
  名称：

  Lahuerta, Pascual; Payá, Jorge; Pellinghelli, Maria Angela, Inorganic Chemistry, 1992, vol. 31, # 7, p. 1224 - 1232

  摘要：

  DOI：

文献信息

• Determination of Equilibrium Constants and Computational Interaction Energies for Adducts of [Rh₂(RCO₂)_4-n(PC)<i>_n</i>] (<i>n</i> = 0−2) with Lewis Bases
  作者：Pipsa Hirva、Julio Esteban、Julio Lloret、Pascual Lahuerta、Julia Pérez-Prieto

  DOI：10.1021/ic062171w

  日期：2007.4.1

  Properties of dirhodium catalysts with cyclometalated aryl phosphine ligands have been studied. We report here the study of the acid-base reaction of Rh-2(RCO2)(2)(PC)(2)(H2O)(2) catalysts (PC = cyclometalated aryl phosphine) with different Lewis bases. The determination of the equilibrium constants of these reactions can be used to study to which extent the properties of the axial coordination site of the catalyst, considered the active site, are affected by modification of the metalated phosphines, the carboxylate ligands, or the incoming axial ligand. The trends in the computational density functional theory interaction energies show good agreement with the major trends in the equilibrium constants, thus enabling a further study of the influence of the modification of the ligand core.
• Analysis of the main structural trends for biscyclometalated dinuclear rhodium compounds of general formula Rh2(O2CR)2(PC)2·2H2O
  作者：Julio Esteban、Francisco Estevan、Mercedes Sanaú

  DOI：10.1016/j.ica.2007.08.005

  日期：2008.4

  A new series of biscyclometalated dinuclear rhodium (II) compounds with the general formula Rh-2(O2CR)(2)(PC)(2) center dot 2H(2)O, being PC = (C6H4)P(C6H5)(2), R = CH3(1 center dot 2H(2)O), PC = [(p-CH3 OC6H3)P(p-CH3 OC6H4)(2)], R = CF3(2 center dot 2H(2)O), PC = (C6H4)P[CH(CH3)(2)](2), R= CH3(3 center dot 2H(2)O) and PC = (C6H4)P(C6H5)(2), R = C6F5(4 center dot 2H(2)O) has been obtained. The crystal structures for these compounds have been determined by X-ray diffraction and the main structural trends, bond lengths, bond angles and torsion angles have been analyzed, and have also been compared with the structural parameters for different analogous complexes described previously in the literature. (C) 2007 Elsevier B.V. All rights reserved.