trans-[Ru(NH3)4P(OEt)3(pyrazine)](2+) | 64939-09-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: trans-[Ru(NH3)4P(OEt)3(pyrazine)](2+)
• 英文别名: trans-[Ru(NH3)4P(OEt)3pz](2+)
• CAS: 64939-09-9
• 化学式: C₁₀H₃₁N₆O₃PRu
• 分子量: 415.438
• InChiKey: IGKFHGSUQUZNEV-UHFFFAOYSA-N

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：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  吡嗪 、 trans-[RuII(H2O)(NH3)4(POEt)3]2+ 以 水 为溶剂， 生成 trans-[Ru(NH3)4P(OEt)3(pyrazine)](2+)
  参考文献：
  名称：

  Trans-effect and trans-influence series for phosphanes in octahedral environment: A guide for design of new catalysts

  摘要：

  By a kinetic approach, the trans-effects and trans-influences of nineteen tertiary phosphane ligands were evaluated for a hexacoordinated d6-low spin metal center. Plots of specific rate constants versus formal potentials for Ru(III)/Ru(II) couples provide a simple, reliable and efficient method to predict phosphane reactivity and are useful as a guide for design of new catalysts.

  DOI：

  10.1016/0304-5102(94)00018-2

文献信息

• Reactivity of : modulation of the release of NO by the trans-effect
  作者：Luiz G.F. Lopes、Eduardo E. Castellano、Antonio G. Ferreira、Celso U. Davanzo、Michael J. Clarke、Douglas W. Franco

  DOI：10.1016/j.ica.2004.07.014

  日期：2005.6

  The synthesis, characterization and reactivity of trans-[Ru(NH3)4P(OEt)3NO]X3(X=PF6-andCF3COO-) are presented. The X-ray structure of trans-[Ru(NH3)4P(OEt)3NO](CF3COO)3 · 3CF3COOH indicates coordination of the nitrosyl as NO with a Ru–N–O angle of 175.1(8)° and a Ru–NO bond length of 1.774(8) Å. Loss of NO2- from trans-[Ru(NH3)4P(OEt)3NO]3+ is pH dependent with kobs (s−1) = (k0Ka + k1[H+])/([H+] + Ka)]

  介绍了反式[Ru（NH3）4P（OEt）3NO] X3（X = PF6-和CF3COO-）的合成，表征和反应活性。反式-[Ru（NH 3）4 P（OEt）3 NO]（CF 3 COO）3  ·3CF 3 COOH的X射线结构表明亚硝酰基作为NO的配位Ru–N–O角为175.1（8）°，Ru–NO键长为1.774（8）Å。NO2-的损失从反式- [茹（NH 3）4 P（OET）3 NO] 3+是pH依赖性的与ķ OBS（S -1）=（ķ 0 ķ一个 +  ķ 1 [H + ]）/（ [H + ] +  K a）]，其中k 0  = 2×10 -5 s -1，k 1  = 0.40±0.03 s -1，p K a ＝ 8.6±0.3。亚硝酰基配合物经历单电子还原（ 相对于NHE的E 0 = 0.14 V），然后由磷酸配体（在25°C时k -NO  = 0.97 s -1）促进NO的离解。pH 5
• Substitution reactions of trans-[Ru(NH3)4{P(OEt)3}(H2O)]2+ revisited. Mechanistic elucidation from a volume-profile analysis
  作者：Benedito S. Lima Neto、Douglas W. Franco、Rudi van Eldik

  DOI：10.1039/dt9950000463

  日期：——

  The complex-formation reactions of trans-[Ru(NH3)(4)P(OEt)(3)}(H2O)](2+) with L = imidazole (Him). isonicotinamide (isn) and pyrazine (pyz) were studied in aqueous solution (I = 0.10 mol dm(-3). CF3CO2Na) as a function of entering ligand concentration and pressure up to 100 MPa, at 25.0 +/- 0.1 degrees C. The volumes of activation for the complex-formation reactions were +4.2 +/- 0.2 (pH 8.6), +1.9 +/- 0.3 (pH 5.3) and +2.0 +/- 0.3 cm(3) mol(-1) (pH 5.0), for L = Him. isn and pyz, respectively. In the case of isn and pyz as entering ligands the volumes of activation for the reverse aquation reactions were found to be +7.5 +/- 0.4 and +10.4 +/- 0.3 cm(3) mol(-1), respectively. Based on the volume of activation data and the constructed volume profiles a dissociative interchange mechanism is proposed.