[Rh2(t-BuCO2)4(NEt3)2] | 256635-51-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Rh2(t-BuCO2)4(NEt3)2]
• CAS: 256635-51-5
• 化学式: C₃₂H₆₆N₂O₈Rh₂
• 分子量: 812.696
• InChiKey: OKAOBPBZTGCIAK-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• 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：

  tetrathiafulvalene-4-carboxylic acid 、 [Rh2(t-BuCO2)4(NEt3)2] 以 甲苯 为溶剂， 以43%的产率得到[Rh2(t-BuCO2)3(tetrathiafulvalenecarboxylic acid(-H))(NEt3)2]
  参考文献：
  名称：

  Synthesis, structure and properties of TTF-carboxylate bridged paddlewheel dirhodium complexes, Rh2(ButCO2)3(TTFCO2) and Rh2(ButCO2)2(TTFCO2)2

  摘要：

  Reaction of tetrathiafulvalene carboxylic acid (TTFCO2H) with paddlewheel dirhodium complex Rh-2((BuCO2)-C-t)4 yielded TTFCO2-bridged complexes Rh-2((BuCO2)-C-t)(3)(TTFCO2) (1) and cis- and trans-Rh-2((BuCO2)-C-t)(2)(TTFCO2)(2) (cis- and trans-2). Their triethylamine adducts [1(NEt3)(2)] and cis-[2(NEt3)(2)] were purified and isolated with chromatographic separation, and characterized with single crystal X-ray analysis. Trans-[2(NEt3)(2)] is not completely separated from a mixture of cis- and trans- [2(NEt3)(2)], but its single crystals were obtained from a solution of the mixture. A three-step quasi-reversible oxidation process was observed for 1 in MeCN. The first two steps correspond to the oxidation of the TTFCO2 moiety and the last one is the oxidation of the Rh-2 core. The oxidation of cis-2 is observed as a two-step process with very similar E-1/2 values to those of the first two processes for 1. Both 1(+) and cis-2(2+) in MeCN at room temperature show isotropic ESR spectra with a g value of 2.008 and a(H) = 0.135 mT for two equivalent H atoms and aH = 0.068 mT for one H atom. The redox and ESR data of cis-2 suggest that the intramolecular interaction between the TTF moieties is very small. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.11.024
• 作为产物：
  描述：

  rhodium(II) pivalate 、 三乙胺 以 乙醇 为溶剂， 生成 [Rh2(t-BuCO2)4(NEt3)2]
  参考文献：
  名称：

  新戊酸铑 (II) 与吡嗪、4,4'-联吡啶、1,4-二氮杂双环 [2.2.2] 辛烷、三乙胺和吡啶的加合物聚合物和二聚体

  摘要：

  新戊酸铑 (II) 与吡嗪 (pyz)、4,4'-联吡啶 (4,4'-bpy) 和 1,4-二氮杂双环 [2.2.2] 辛烷 (dabco)、三乙胺（茶）和吡啶（py）已制备。与 pyz、4,4'-bpy 和 dabco 的加合物是配制为 [Rh2(O2CCMe3)4(L)]n (L = pyz、4,4'-bpy 和 dabco) 的聚合物。通过 4,4'-bpy 加合物的 X 射线结构分析证实了具有铑 (II) 二聚体和配体交替排列的聚合物结构。Rh-Rh 键距为 2.395(1) A，这在所报道的羧酸铑 (II) 与轴向芳族氮供体配体的加合物的范围内。加合物二聚体 [Rh2(O2CCMe3)4(L)2]（L = 茶和 py）的结构也证实了茶配位的复合物，它具有相当长的轴向 Rh-N (2.391(8) A ) 和 Rh–Rh (2.413(1) A) 键。

  DOI：

  10.1246/bcsj.72.2681