| 192006-22-7

• CAS: 192006-22-7；77000-90-9
• 化学式: H₂O₆V
• 分子量: 148.954
• InChiKey: FMLBZASJBQZENP-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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  苹果酸 、 以 水 为溶剂， 生成
  参考文献：
  名称：

  旨在预测钒过氧络合物在水中的氧化反应性的研究。配体性质与51 V-NMR化学位移之间的相关性

  摘要：

  研究了一系列钒过氧配合物在水中的51 V-NMR光谱行为。考察了含有两个结合位点是氧原子（O = O配体）或一个氧和一个氮原子（N = O配体）的二齿配体的单过氧钒配合物，以及含有各种取代的吡啶或苯胺的二氧杂钒配合物。在所有情况下，均观察到金属的磁屏蔽与配体的电子特性直接相关，该金属屏蔽通过其51 V-NMR化学位移测量。对于双二恶英配合物之间的Hammett型相关性为51建立了V-NMR化学位移和吡啶或苯胺环中取代基的σ值。对于一元过氧化物配合物，发现了化学位移与配体-金属电荷转移电子跃迁的能量之间的拉姆齐型相关性，从而表明该配体的给电子能力和过氧配合物的能隙HOMO-LUMO是线性相关的。所有这些观察结果表明，含有强给电子配体的过氧钒络合物应为弱亲电子氧化剂和较弱的单电子受体。关于一系列过氧钒物种在简单的自分解反应中的反应性的初步数据证实了这一预测。

  DOI：

  10.1016/1381-1169(95)00143-3
• 作为产物：
  描述：

  ammonium vanadate(V) 、 双氧水 以 重水 为溶剂， 生成
  参考文献：
  名称：

  关于亲水离子液体中 VV 物质的性质：一种光谱方法

  摘要：

  进行了异核 NMR 实验，特别是 51V 实验，目的是阐明亲水离子液体（即 [bmim][BF4]、[bmim][TfO] 和 ...

  DOI：

  10.1002/ejic.200800673

文献信息

• Study of the coordination and solution structures for the interaction systems between diperoxidovanadate complexes and 4-(pyridin-2-yl)pyrimidine-like ligands
  作者：Xian-Yong Yu、Ping-Gui Yi、Dan-Hong Ji、Bi-Rong Zeng、Xiao-Fang Li、Xin Xu

  DOI：10.1039/c2dt12334g

  日期：——

  To understand the substitution effects of 4-(pyridin-2-yl)pyrimidine (pprd) on the coordination reaction equilibria, the interactions between a series of the pprd-like ligands and [OV(O2)2(H2O)]− or [OV(O2)2(HOD)]− or [OV(O2)2(D2O)]− (bpV) have been explored by a combination of multinuclear (1H, 13C, and 51V) magnetic resonance, heteronuclear single quantum coherence (HSQC) and variable temperature NMR in a 0.15 mol L−1 NaCl D2O solution that mimics physiological conditions. The direct NMR data are reported for the first time. Competitive coordination interactions result in a series of new hepta-coordinated peroxidovanadate species [OV(O2)2LL′]− (LL′ = pprd-like chelating ligands). The equilibrium constants for the products between bpV and the pprd-like ligands show that the relative affinity of the ligands is pprd ≈ 2-NH2-pprd > 2-Me-pprd > 2-Et-pprd > 4-(6-methylpyridin-2-yl)pyrimidine (abbr. 6′-Me-pprd). When the ligand is pprd, a pair of isomers (Isomer A and B) are observed in aqueous solution, which are attributed to the different types of coordination modes between the metal and the ligands, while the crystal structure of NH4[OV(O2)2(pprd)]·2H2O has the same coordination structure as Isomer A. For substituted pprd ligands, however, only one type of structure (Isomer A or B ) is observed in solution. These results demonstrate that, when the aromatic ring has a substitution group, both the steric effect (from the alkyl) and hydrogen bonding (from the amine) can affect the coordination reaction equilibrium to prevent the appearance of either Isomer B in solution for the ligands 2-Me-pprd, 2-NH2-pprd, 2-Et-pprd, or Isomer A in solution for 6′-Me-pprd.

  为了理解4-(吡啶-2-基)嘧啶(pprd)对配位反应平衡的取代效应,通过多核(^1H, ^13C, 和 ^51V)磁共振、异核单量子相干(HSQC)和变温核磁共振的组合,探索了一系列类似pprd的配体与[OV(O2)2(H2O)]−或[OV(O2)2(HOD)]−或[OV(O2)2(D2O)]−(bpV)在水溶液中的相互作用,水溶液模拟生理条件下的0.15 mol L−1 NaCl D2O溶液。首次报道了直接NMR数据。竞争性配位相互作用导致一系列新的七配位过氧化钒酸盐物种[OV(O2)2LL′]−(LL′=类似pprd的螯合配体)。bpV与类似pprd的配体之间产物的平衡常数表明,配体的相对亲和力为pprd≈2-NH2-pprd>2-Me-pprd>2-Et-pprd>4-(6-甲基吡啶-2-基)嘧啶(简称6′-Me-pprd)。当配体为pprd时,在水溶液中观察到一对异构体(异构体A和B),这归因于金属和配体之间不同的配位模式,而NH4[OV(O2)2(pprd)]·2 的晶体结构与异构体A具有相同的配位结构。然而,对于取代的pprd配体,在水溶液中只观察到一种结构(异构体A或B)。这些结果表明,当芳香环有取代基时,空间效应(来自烷基)和氢键(来自胺)都可以影响配位反应平衡,从而阻止异构体B在溶液中出现(对于配体2-Me-pprd, 2-NH2-pprd, 2-Et-pprd)或异构体A在溶液中出现(对于6′-Me-pprd)。
• Investigation on the interactions between diperoxovanadate and substituted phenanthroline
  作者：Ting Huang、Shuhui Cai、Xianyong Yu、Zhong Chen

  DOI：10.1016/j.saa.2005.07.016

  日期：2006.5

  conditions by NMR spectroscopy, such as 1D 1H, 13C, 51V variable temperature, and 2D COSY, NOESY, HETCOR, COLOC techniques as well as density functional calculations. New species [OV(O2)2(5,6-dimethyl-1,10-phenanthroline)]- and [OV(O2)2(5-methyl-1,10-phenanthroline)]- including isomers were formed in a bidentate coordination fashion which were stable under the experimental conditions. The solution structures

  在生理条件下，通过NMR光谱，详细研究了NH4VO3 / H2O2 / 5,6-二甲基-1,10-菲咯啉和NH4VO3 / / 5-甲基-1,10-菲咯啉的相互作用体系，例如1D 1H，13C，51V可变温度和2D COSY，NOESY，HETCOR，COLOC技术以及密度函数计算。在双齿中形成包括异构体的新物种[OV（O2）2（5,6-二甲基-1,10-菲咯啉）]-和[OV（O2）2（5-甲基-1,10-菲咯啉）]-异构体。在实验条件下稳定的配位方式。这些新物质的溶液结构是根据直接的NMR实验信息提出的，并通过理论计算得到了证实。分配了所有1H和13C NMR峰。计算得出的1H和13C的化学位移总体与实验值完全吻合。发现三个新配合物的芳环上的甲基对配位过程具有位阻效应。实验结果表明，菲咯啉及其衍生物的配位能力顺序为：1,10-菲咯啉> 5-甲基-1,10-菲咯啉> 5,6-二甲基-1
• (EnH2)2[V2O2(O2)4(μ-C2O4)] — The vanadium(V) oxalato oxido peroxido complex with a bridging oxalato group
  作者：Mária Grešnerová、Jana Chrappová、Peter Schwendt、Jozef Tatiersky、Zdirad Žák

  DOI：10.1016/j.inoche.2011.06.001

  日期：2011.9

  The oxalato complex (EnH2)2[V2O2(O2)4(μ-C2O4)] (where En = ethane-1,2-diamine) has been prepared and characterised by elemental analysis, infrared and Raman spectra and single crystal X-ray analysis. The crystal structure is stabilised by an extensive network of simple, bi-, tri- or tetrafurcated N H···O hydrogen bonds which is supposed to have a significant role in stabilising the dinuclear solid state

  摘要 草酸络合物 (EnH2)2[V2O2(O2)4(μ-C2O4)]（其中 En = 乙烷-1,2-二胺）已被制备并通过元素分析、红外和拉曼光谱以及单晶 X-射线分析。晶体结构由广泛的简单、双、三或四叉 NH…O 氢键网络稳定，这被认为在稳定 [V2O2(O2)4( μ- )]4- 阴离子。51V NMR 谱表明双核配合物在溶解于水中后立即分解。
• Polymer-bound oxidovanadium(IV) and dioxidovanadium(V) complexes: synthesis, characterization and catalytic application for the hydroamination of styrene and vinyl pyridine
  作者：Mannar R. Maurya、Aarti Arya、Umesh Kumar、Amit Kumar、Fernando Avecilla、João Costa Pessoa

  DOI：10.1039/b912180c

  日期：——

  Treatment of [V(IV)O(acac)(2)] with PS-Hfsal-aepy in dimethylformamide (DMF) gave the oxidovanadium(IV) complex PS-[V(IV)O(fsal-aepy)(acac)] 1, which on oxidation yielded the dioxidovanadium(V) PS-[V(V)O(2)(fsal-aepy)] 2 complex. The corresponding neat complexes, [V(IV)O(sal-aepy)(acac)] 3 and [V(V)O(2)(sal-aepy)] 4 have also been prepared. The compounds are characterized in solid state and in solution

  衍生自3-甲酰基水杨酸和2-（2-氨基乙基）吡啶的席夫碱（Hfsal-aepy）已与与5％二乙烯基苯（PS-Hfsal-aepy）交联的氯甲基化聚苯乙烯共价键合。用二甲基甲酰胺（DMF）中的PS-Hfsal-aepy处理[V（IV）O（acac）（2）]，得到氧化钒（IV）络合物PS- [V（IV）O（fsal-aepy）（acac）]参见图1，其在氧化时产生了二氧化钒（V）PS- [V（V）O（2）（fsal-aepy）] 2络合物。还制备了相应的纯络合物[V（IV）O（sal-aepy）（acac）] 3和[V（V）O（2）（sal-aepy）] 4。化合物在固态和溶液中进行表征，即通过光谱技术（IR，UV-Vis，EPR，（1）H，（13）C和（51）V NMR），热以及场发射扫描电子进行表征。显微照片（FE-SEM）研究。通过单晶X射线衍射分析了[V（IV）O（sal-aepy）（
• Multinuclear NMR spectroscopic and theoretical study on the interactions between diperoxovanadate complex and picoline-like ligands
  作者：Shuhui Cai、Xianyong Yu、Zhong Chen

  DOI：10.1016/j.saa.2005.12.019

  日期：2006.11

  To understand the substituting effects of organic ligands on the reaction equilibrium, the interactions between diperoxovanadate complex [OV(O-2)(2)(H2O)](-) and a series of picoline-like ligands in solution were explored using ID multinuclear (H-1, C-13, and V-51) magnetic resonance, 2D diffusion ordered spectroscopy (DOSY), and variable temperature NMR in 0.15 mol/l NaCl ionic medium for mimicking the physiological conditions. The order of reactive capability of the picoline-like ligands with [OV(O-2)(2)(H2O)](-) is found to be picolinamide > N-methylpicolinamide > methyl picolinate > ethyl picolinate, propyl picoliniate > isopropyl picolinate. The substituting group influences the reactivity by either steric effect or electron-donating effect. Competitive coordination interactions result in a series of new seven-coordinated peroxovanadate species [OV(O-2)(2)L](-) (L = picoline-like ligands). Their coordination ways were confirmed by density functional calculations. (c) 2005 Elsevier B.V. All rights reserved.