cupric sulfate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属氧阴离子化合物
• 英文名称: cupric sulfate
• 英文别名: (63)copper(II) sulfate；copper;sulfate
• 化学式: O₄S*Cu
• 分子量: 159.064
• InChiKey: UGWKCNDTYUOTQZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.34
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cupric sulfate 、 乳清酸 以 乙醇 、 氨 为溶剂， 生成 cis-diammine(orotato)(63)copper(II)
  参考文献：
  名称：

  该螯合铜的不寻常的非共价相互作用（II）离子并且在维生素B的π键13配合物，顺式-Diammine（orotato）铜（II）：理论和振动光谱法研究

  摘要：

  具有维生素B 13（乳清酸），顺式[[Cu（oro）（NH 3）2 ]的Cu（II）配合物的晶体结构表明，螯合的Cu（II）之间存在异常的，非共价的π型相互作用离子和尿嘧啶环的C═C键[Michalska et al。多面体2007，26，4303]。在这项工作中，这种相互作用的起源和强度得到了彻底的研究。使用不受限制的密度泛函理论方法，B3LYP和新开发的M05-2X泛函，对标题复合物的分子结构和振动光谱进行了全面的研究。为了比较，还进行了UMP2级别的计算。DFT计算中已经采用了多种基础集，包括aug-cc-pVTZ，D95V（d，p），SDD和LanL2DZ。的63铜/ 65铜同位素替代技术用于识别红外光谱中的铜配体振动。在计算出的势能分布PED的基础上，对标题配合物的FT-IR和拉曼光谱中的所有波段进行了明确分配。结果表明，顺式-[Cu（oro）（NH 3）2 ]的拉曼光谱中1210

  DOI：

  10.1021/jp901912v
• 作为产物：
  描述：

  copper(II) oxide 在 硫酸 作用下， 以 硫酸 为溶剂， 生成 cupric sulfate
  参考文献：
  名称：

  Duliba, Edward P.; Hurst, Gregory C.; Belford, R. Linn, Inorganic Chemistry, 1982, vol. 21, # 2, p. 577 - 581

  摘要：

  DOI：

文献信息

• Interaction of Ionomers and Polyelectrolytes with Divalent Transition Metal Cations (Cu²⁺ and VO²⁺):  A Study by Electron Spin Resonance (ESR) Spectroscopy and Viscosimetry
  作者：Krzysztof Kruczala、Shulamith Schlick

  DOI：10.1021/jp9839697

  日期：1999.3.1

  The interactions in aqueous media between ion-containing polymers (ionomers and polyelectrolytes) and the divalent cations Cu2+ and VO2+ were studied by electron spin resonance (ESR) at X and L bands and by viscometry. The polymeric systems studied were poly(ethylene-co-methaclylic acid) (EMAA) ionomer, perfluorinated ionomer (Nafion), poly(acrylic acid) (PAA), and poly(styrene sulfonic acid) (PSSA). ESR spectra indicate immobilization of both cations in EMAA solutions, due to cation ligation to two carboxylic groups from a multichain micelle. In PAA, the attachment of the cations to the polymer chain depends on the pH: no attachment at low pH (1.5), and progressive bonding as the pH is increased. Two types Of CU2+/PAA complexes were detected and were assigned respectively to ligation of the cation to one and to two carboxylic groups in the PAA chain. Only one type of complex with PAA was detected for VO2+ cations in the pH range up to 8.5. No evidence for complexation was detected for both cations in the Nafion and PSSA systems. Viscosity measurements indicate that the micellar dimensions in EMAA were reduced upon progressive addition of Cu2+ cations. We have also detected a time dependence of the reduced viscosity after dilution of the EMAA solutions, possibly due to a redistribution of micelle sizes. The results were examined in light of the models for ion-containing polymers, which have proposed an "ionomer" regime in nonpolar solvents where the ion pairs aggregate into multiplets, and a "polyelectrolyte" regime in polar solvents such as water, where the ion pairs are dissociated. The present study indicates that the interactions responsible for ionomer or polyelectrolyte regimes depend not only on the solvent but also on the type of ionic groups in the polymer, the type of counterions, and the pH.