trans-Co(en)2Br2(1+) | 65794-36-7

• 分子结构分类: 有机化合物
• 英文名称: trans-Co(en)2Br2(1+)
• CAS: 65794-36-7
• 化学式: C₄H₁₆Br₂CoN₄
• 分子量: 338.999
• InChiKey: LSOSIVKBPQQLAD-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：

  trans-Co(en)2Br2(1+) 在 poly-vinylpyridine 作用下， 以 not given 为溶剂， 生成 cis-[Co(ethylenediamine)2(poly(vinylpyridine))Br](2+)
  参考文献：
  名称：

  大分子结合钴（III）胺配合物的光化学

  摘要：

  的量子产率的氧化还原分解顺- [CO（烯）2（PVP）X] 2+ [EN =乙二胺; pvp =聚（乙烯基吡啶），X = Cl或Br]离子会受到大分子配体的影响。

  DOI：

  10.1039/c39830000472

文献信息

• Volume profile for aquation of Co(en)2Cl2+, Co(trien)Cl2+ and Co(edda)Cl2−
  作者：Y. Kitamura、T. Takamoto、K. Kuroda

  DOI：10.1016/s0020-1693(00)80564-2

  日期：1989.5

  interpreted consistently with the Interchange mechanism. In the case of Co(en)2Cl2+ and Co(trien)Cl2+, the ΔV‡ for trans isomers aquating with steric change is slightly (1 ∼ 3 cm3 mol−1) larger than the ΔV‡ for cis isomers aquating with configuration retention. This tendency parallels the suggestion by Tobe that the ΔS‡ is positive for aquation with steric change.

  摘要通过实验获得了七个标题反应的活化体积（ΔV‡= −2〜+ 3 cm3 mol-1）和反应体积（ΔV= −18− + 2 cm3 mol-1）。结果与交换机制一致。对于Co（en）2Cl2 +和Co（trien）Cl2 +，具有空间变化的反式异构体的ΔV‡略大于（顺式异构体）具有构型保留的ΔV‡（1〜3 cm3 mol-1）。这种趋势与Tobe的建议相似，即ΔS‡对于带空间变化的水合为正。
• The kinetics and stereochemistry of spontaneous aquation of trans[Co(en)2Cl2]+ and trans[Co(en)2Br2]+
  作者：W.G. Jackson、C.M. Begbie

  DOI：10.1016/s0020-1693(00)89135-5

  日期：1982.1

  Abstract The rates and steric course of spontaneous hydrolysis of trans [Co(en) 2 X 2 ] + in 0.1 M CF 3 SO 3 H at 25 °C are recorded: X = Cl, k s = (4.2± 0.1) 10 −5 s −1 , 74 ± 1.5% trans [Co(en) 2 (OH 2 )Cl] 2+ product, 79 ± 1% cis at equilibrium; X = Br, k s = (4.13 ± 0.07) 10 −4 s −1 , 84.5 ± 1.5% trans [Co(en) 2 (OH 2 )-Br] 2+ product, 74.0 ± 1.5% cis at equilibrium. The hydrolysis rate for the

  摘要记录了25°C下0.1 M CF 3 SO 3 H中反式[Co（en）2 X 2] +的自发水解速率和空间过程：X = Cl，ks =（4.2±0.1）10 -5 s -1，反式[Co（en）2（OH 2）Cl] 2+产物74±1.5％，平衡时顺式79±1％；X ＝ Br，ks ＝（4.13±0.07）10 -4 s -1，反式[Co（en）2（OH 2）-Br] 2+产物为84.5±1.5％，在平衡时为74.0±1.5％。溴配合物的水解速率和两种配合物的空间过程数据都与早期值明显不同。在25°C下于0.01–1.0 M HClO 4和0.1 M CF 3 SO 3 H中测量了反式和顺式[Co（en）2（OH 2）Br] 2+的异构化速率，结果（ki = （2.32±0.07）10 -4 s -1）与阴离子和离子强度无关。
• Ganescu, I.; Varhelyi, Cs.; Hantz, A., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Ganescu, I.、Varhelyi, Cs.、Hantz, A.、Papa, I.

  DOI：——

  日期：——
• Multivariate statistical treatment of solvent effects in the photoreduction of CoIII(En)2(Br)(RC6H4NH2)2+ complexes in aqua-organic solvent media
  作者：K. Anbalagan

  DOI：10.1134/s1070328406050095

  日期：2006.5

  Ultraviolet photolysis (lambda = 254 nm) studies were carried out for a series of cobalt(III) complexes, Co-III(En)(2)(Br)(RC6H4NH2)(2+), where R = m-OMe, p-F, H, m-Me, p-Me, p-OEt, and p-OMe, in various compositions of water-methanol/1,4-dioxane mixtures (0, 5, 10, 15, 20, 25, and 30 vol% organic cosolvent) at two different temperatures (287 and 300 K). The ligand-to-metal charge-transfer excited state produced in the excitation of the complex initially generated a solvent-caged (Coll; ligand radical) pair, which eventually undergoes recombination/separation into products. The quantum yield sharply increased from a mixture containing a lower mole fraction of organic cosolvent (x(org)) to higher one. In other words, when x(org) in the mixture increases, a steady increase in the quantum yield is observed. The quantum yield of Co-III(En)(2)(Br)(RC6H4NH2)(2+) in various solvent mixtures is found to exhibit a linear (log Phi(Co(II))-1/epsilon(r)) dependence. This is consistent with solvation or solvent cage effect, which may be nonspecific, specific, or both. In order to throw light on these effects, a phenomenological model of solvent effects was applied. Therefore, the quantum yield values have been correlated statistically with some success containing different solvent parameters. The solvent parameters considered in this work are Grunwald-Winstein's Y, Krygowski-Fawcett's E-T(N) and DNN along with Kamlet-Taft's alpha, beta, pi* parameters. The regression model proposed is Y-S = Y-0 + Sigma(n)(i=1) a(i)X(i), where Y-S is the solvent-dependent property (here log Phi(Co(II))) in a given solvent; Y-0 is the statistical quantity corresponding to the value of property in the reference solvent; X-1, X-2, X-3... are explanatory variables, the solvent parameters, which can explain the various solvation effects on reactants/Co-II; ligand radical} pair, and a(1), a(2), a(3)... etc., are the regression coefficients. The coefficient values can be quantified to measure the relative importance of solvent effects on the physicochemical quantity, that is, the photoreduction yields in the present investigation.