[Ru(II)(tpy)(pic)H2O]ClO4 | 111959-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ru(II)(tpy)(pic)H2O]ClO4
• 英文别名: [Ru(tpy)(pic)(H2O)][ClO4]；[Ru(II)(2,2',6',2''-terpyridine)(picolinate)(H2O)][ClO4]；[Ru(II)(2,2',6',2''-terpyridine)(picolinate)(water)]ClO4；[Ru(II)(2,2':6',2''-terpyridine)(picolinato)(H2O)]ClO4；2,6-Dipyridin-2-ylpyridine;pyridine-2-carboxylate;ruthenium(2+);perchlorate;hydrate
• CAS: 111959-09-2
• 化学式: C₂₁H₁₇N₄O₃Ru*ClO₄
• 分子量: 573.912
• InChiKey: VZMOJPOXZPDUFJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.93
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  167
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  [Ru(II)(tpy)(pic)H2O]ClO4 在 NaClO₄ 作用下， 以 水 为溶剂， 生成 [Ru(III)(2,2',6',2''-terpyridine)(picolinate)(HO)](1+)
  参考文献：
  名称：

  Synthesis, characterization and reactivity of a novel ruthenium(II) complex containing polypyridyl ligand

  摘要：

  The [Ru-II(trpy)(pic)(H2O)](+) (1) was synthesized and characterized by analytical, spectral (UV-Vis and IR), molar conductivity, magnetic moment and electrochemical studies. Complex 1 catalyzes the epoxidation of styrene and stilbenes in presence of tert-butyl hydroperoxide (t-BuOOH) in dichloromethane at room temperature. No epoxide formation was observed in presence of the radical trapping agent (benzoquinone). A mechanism involving formation of [Ru-O(t-Bu)-O] type of radicaloid intermediate as an active intermediate responsible for epoxide formation is proposed for the catalytic epoxidation process. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.08.005
• 作为产物：
  描述：

  [Ru(III)(tpy)(pic)Cl]Cl*H2O 在 catecholYL-ascorbic acid 作用下， 以 not given 为溶剂， 生成 [Ru(II)(tpy)(pic)H2O]ClO4
  参考文献：
  名称：

  [RuIII(tpy)(pic)(OH)]+ (tpy=2,2′6′,2″-三联吡啶；pic−=吡啶甲酸酯)氧化儿茶酚和 l-抗坏血酸：动力学和机理研究

  摘要：

  摘要 [RuIII(tpy)(pic)(OH)]+ (1) (tpy = 2,2) 将儿茶酚 (H2cat) 氧化成苯醌 (BQ) 和抗坏血酸 (HA-) 氧化成脱氢抗坏血酸 (A) 的动力学'6',2”-三联吡啶；pic− = 吡啶甲酸酯）已作为 [H2cat]（或 [HA−]）、离子强度 (0.01 − 0.25 M)、温度 (10–30 °C) 的函数进行研究恒定 pH = 3.2，使用停流和快速扫描二极管阵列分光光度技术。发现 1 与 HA- 的反应速率与 H2cat 相比非常快。动力学数据和活化参数根据关联交换机制进行解释。光谱和动力学数据分析表明，1 与儿茶酚的反应通过直接的外球电子转移途径进行，而 1 与 HA− 的还原涉及离子对形成。

  DOI：

  10.1016/j.inoche.2006.07.035

文献信息

• Kinetics and mechanism of epoxidation of olefins by a novel ruthenium(IV)-oxo complex
  作者：Debabrata Chatterjee

  DOI：10.1016/j.ica.2007.11.034

  日期：2008.6

  [RuIV(tpy)(pic)(O)]+ (1) was synthesized by chemical oxidation of the corresponding aqua-complex [RuII(tpy)(pic)(H2O)]+ (2) and characterized by analytical, spectroscopic (UV–vis and IR) and magnetic moment studies. Complex 1 effected epoxidation of styrene and substituted styrenes, cis- and trans-stilbenes and cyclohexene, in CH3CN at room temperature. Epoxides were found to be the major product for styrenes and stilbenes

  [RuIV（tpy）（pic）（O）] +（1）是通过相应的水络合物[RuII（tpy）（pic）（H2O）] +（2）的化学氧化反应合成的，并通过分析，光谱学（ UV-vis和IR）和磁矩研究。在室温下，配合物1在CH3CN中实现了苯乙烯和取代的苯乙烯，顺式和反式对苯二甲酸酯和环己烯的环氧化。发现环氧化合物是苯乙烯和对苯乙烯的主要产物，而环己烯的氧化产生烯丙基氧化产物。在过量烯烃浓度的拟一级反应条件下进行了详细的动力学研究。提出了与速率和活化参数相符的工作机理，并参考报道的有关RuIVO体系在CH3CN中进行烯烃氧化的数据讨论了结果。
• Peroxydisulfate activation by [RuII(tpy)(pic)(H2O)]+. Kinetic, mechanistic and anti-microbial activity studies
  作者：Debabrata Chatterjee、Priyabrata Banerjee、Jagadeesh C. Bose K、Sudit Mukhopadhyay

  DOI：10.1039/c2dt11821a

  日期：——

  The oxidation of [RuII(tpy)(pic)H2O]+ (tpy = 2,2′,6′,2′′-terpyridine; pic− = picolinate) by peroxidisulfate (S2O82−) as precursor oxidant has been investigated kinetically by UV-VIS, IR and EPR spectroscopy. The overall oxidation of Ru(II)- to Ru(IV)-species takes place in a consecutive manner involving oxidation of [RuII(tpy)(pic)H2O]+ to [RuIII(tpy)(pic)(OH)]+, and its further oxidation of to the ultimate product [RuIV(tpy)(pic)(O)]+ complex. The time course of the reaction was followed as a function of [S2O82−], ionic strength (I) and temperature. Kinetic data and activation parameters are interpreted in terms of an outer-sphere electron transfer mechanism. Anti-microbial activity of RuII(tpy)(pic)H2O]+ complex by inhibiting the growth of Escherichia coli DH5α in presence of peroxydisulfate has been explored, and the results of the biological studies have been discussed in terms of the [RuIV(tpy)(pic)(O)]+ mediated cleavage of chromosomal DNA of the bacteria.

  通过紫外-可见光、红外和电子顺磁共振光谱，对过氧化硫酸盐（S2O82−）作为前驱氧化剂氧化[RuII(tpy)(pic)H2O]+（tpy = 2,2′,6′,2′′-三联吡啶；pic− = 吡啶甲酸）的氧化反应进行了动力学研究。Ru(II)到Ru(IV)物种的整体氧化过程是连续的，包括[RuII(tpy)(pic)H2O]+氧化成[RuIII(tpy)(pic)(OH)]+，以及进一步氧化成最终产物[RuIV(tpy)(pic)(O)]+络合物。反应的时间过程与[S2O82−]、离子强度（I）和温度有关。动力学数据和活化参数通过外层电子转移机制进行解释。通过抑制过氧化二硫酸盐存在下大肠杆菌DH5α的生长，研究了RuII(tpy)(pic)H2O]+络合物的抗微生物活性，并从[RuIV(tpy)(pic)(O)]+介导的细菌染色体DNA断裂的角度讨论了生物学研究的结果。
• Llobet, Antoni; Doppelt, Pascal; Meyer, Thomas J., Inorganic Chemistry, 1988, vol. 27, # 3, p. 514 - 520
  作者：Llobet, Antoni、Doppelt, Pascal、Meyer, Thomas J.

  DOI：——

  日期：——
• Kinetics and catalysis of oxidation of phenol by ruthenium(IV)–oxo complex
  作者：Debabrata Chatterjee、Anannya Mitra

  DOI：10.1016/j.molcata.2007.11.037

  日期：2008.3

  Kinetics of oxidation of phenol by [Ru-IV(tpy)(pic)(O)](+) (tpy = 2,2',6',2 ''-terpyridine; pic = picolinate) (1) has been studied in aqueous solution using a rapid scan stopped-flow spectrophotometer. Under pseudo-first order conditions of excess phenol concentrations, the rate of reaction was found to be first order in respect to both 1 and phenol concentrations. Quinones and [Ru-II(tpy)(pic)(H2O)](+) (2) were found to be the ultimate products of the reaction. Kinetic results were analyzed by using global kinetic analysis techniques and a working mechanism in agreement with the rate and activation parameters is presented. The experimental results are discussed in reference to data reported for the phenol oxidation by relevant (RuO)-O-IV = systems. Catalytic ability of 2 in effecting phenol oxidation in the presence of t-BuOOH has been explored. (C) 2007 Elsevier B.V. All rights reserved.
• Synthesis, characterization and reactivity of a novel ruthenium(II) complex containing polypyridyl ligand
  作者：Debabrata Chatterjee、Ayon Sengupta、Anannya Mitra

  DOI：10.1016/j.poly.2006.08.005

  日期：2007.1

  The [Ru-II(trpy)(pic)(H2O)](+) (1) was synthesized and characterized by analytical, spectral (UV-Vis and IR), molar conductivity, magnetic moment and electrochemical studies. Complex 1 catalyzes the epoxidation of styrene and stilbenes in presence of tert-butyl hydroperoxide (t-BuOOH) in dichloromethane at room temperature. No epoxide formation was observed in presence of the radical trapping agent (benzoquinone). A mechanism involving formation of [Ru-O(t-Bu)-O] type of radicaloid intermediate as an active intermediate responsible for epoxide formation is proposed for the catalytic epoxidation process. (c) 2006 Elsevier Ltd. All rights reserved.