[Ru(4,4'-dimethyl-2,2'-bipyridine)(CO)2Cl]2 | 206976-81-0

• 英文名称: [Ru(4,4'-dimethyl-2,2'-bipyridine)(CO)2Cl]2
• 英文别名: [Ru(CO)2Cl(4,4'-dimethyl-2,2'-bipyridine)]2
• CAS: 206976-81-0
• 化学式: C₂₈H₂₄Cl₂N₄O₄Ru₂
• 分子量: 753.569
• InChiKey: VCNOAYNZXAWNDS-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：
  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：

  [Ru(4,4'-dimethyl-2,2'-bipyridine)(CO)2Cl]2 、 氢溴酸 以 水 为溶剂， 以49%的产率得到cis-(Br)-Ru(4,4'-dimethyl-2,2'-bipyridine)(CO)2Br2
  参考文献：
  名称：

  Selective Formation ofcis(X)- andtrans(X)-Ru(dmbpy)(CO)2X2 Complexes (X = Cl, Br, I, SCN) from Monomeric and Dimeric Ru–mono(dmbpy) Carbonyl Complexes (Dmbpy = 4,4′-Dimethyl-2,2′-bipyridine)

  摘要：

  DOI：

  10.1002/(sici)1099-0682(199901)1999:1<101::aid-ejic101>3.0.co;2-s
• 作为产物：
  描述：

  4,4'-二甲基-2,2'-联吡啶 、 dichlorotricarbonylruthenium(II) dimer 在 乙二醇 作用下， 以 乙二醇 为溶剂， 生成 [Ru(4,4'-dimethyl-2,2'-bipyridine)(CO)2Cl]2
  参考文献：
  名称：

  Experimental and theoretical approaches to the reactions of ruthenium-4,4′-dimethyl-2,2′-bipyridine carbonyl complexes

  摘要：

  The reactions of ruthenium-4,4'-dimethyl-2,2'-bipyridine (4,4'-dmbpy) carbonyl complexes were investigated by experimental and computational methods. The reaction route from [Ru(CO)(3)Cl-2](2) and 4,4'-dmbpy in ethylene glycol proceeded in several consecutive steps to dimeric [Ru(4,4'-dmbpy)(CO)(2)Cl](2). The intermediates in each Step were isolated and characterized using spectroscopic methods. Total reaction energies were calculated by non-local density functional methods. Electron donating methyl groups have been suggested to cause changes in the electronic environment of the ruthenium central atom, thus affecting the catalytic properties of these complexes. The reactions of ruthenium-4,4'-dmbpy complexes in ethylene glycol were compared to the related reactions of analogous ruthenium-2,2'-bipyridine complexes in order to determine the influence of peripheric methyl substituents on the reactivities of the complexes. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00251-6

文献信息

• Ruthenium bipyridine complexes: synthesis and characterisation of Ru(tmbpy)(CO)2Cl2, Ru(dmbpy)(CO)2Cl2 and [Ru(dmbpy)(CO)2Cl]2
  作者：Pertti Homanen、Matti Haukka、Markku Ahlgrén、Tapani A Pakkanen、Paul N.W Baxter、Robert E Benfield、Joseph A Connor

  DOI：10.1016/s0022-328x(97)00604-9

  日期：1998.2

  refined in space group P2/c. The complexes have been characterised by spectroscopic studies and X-ray diffraction measurements: Ru(tmbpy)(CO)2(Cl)2 (1), orthorhombic, space group P212121, a=9.372(2) Å, b=12.779(1) Å, c=15.320(3) Å, Z=4; Ru(dmbpy)(CO)2(Cl)2 (2), monoclinic, space group P21/c, a=11.754(4) Å, b=12.920(3) Å, c=14.245(3) Å, β=111.74(2)° Z=4; [Ru(dmbpy)(CO)2Cl]2 (3), monoclinic, space group

  已经合成了具有甲基取代的2,2'-联吡啶配体的羰基钌络合物。[Ru（CO）3 Cl 2 ] 2在THF中与4,4'，5,5'-四甲基2,2'-联吡啶（tmbpy）和4,4'-二甲基2,2'-联吡啶（dmbpy）反应形成单核顺-CO，顺-Cl配合物，而在乙二醇/辛醇溶液中，具有dmbpy的产物为二聚体。二聚体[Ru（bpy）（CO）2 Cl] 2已在空间群P 2 / c中进行了重新测量和精制。配合物已通过光谱研究和X射线衍射测量表征：Ru（tmbpy）（CO）2（Cl）2（1），正交空间组P 2 1 2 1 2 1 1，a = 9.372（2）Å，b = 12.779（1）Å，c = 15.320（3）Å，Z = 4; 的Ru（dmbpy）（CO）2（Cl）的2（2），单斜晶系，空间群P 2 1 / ç，一个= 11.754（4），b = 12.920（3）埃，c ^ = 14.245（3）埃，β