palladium(2+);acetate;trihydrate | 173070-64-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: palladium(2+);acetate;trihydrate
• CAS: 173070-64-9
• 化学式: C₂H₉O₅Pd
• 分子量: 219.51
• InChiKey: UMBHYNXVBOSMKL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  tetraaqua palladium(II) perchlorate 、 溶剂黄146 以 高氯酸 为溶剂， 生成 palladium(2+);acetate;trihydrate
  参考文献：
  名称：

  Equilibrium and High-Pressure Kinetic Study of Formation and Proton-Assisted Aquation of Monodentate Acetate, Propionate, and Glycolate Complexes of Palladium(II) in Aqueous Solution

  摘要：

  Kinetics and equilibria for reversible formation of 1:1 monodentate complexes between Pd(H2O)(4)(2+) and acetic, propionic, and glycolic acid (RCOOH) according to the equation Pd(H2O)(4)(2+) + RCOOH reversible arrow Pd(H2O)(3)OOCR(+) + H3O+ (k(1), k(-1)) have been studied as a function of temperature and pressure in an aqueous medium with 0.60 less than or equal to [H+] less than or equal to 1.00 M, [RCOOH]/[H+] less than or equal to 1.0, and ionic strength 1.00 M. Stability constants beta(1) for the formation of acetate, propionate, and glycolate complexes are (2.19 +/- 0.09) x 10(4), (2.10 +/- 0.24) x 10(4), and (6.4 +/- 0.1) x 10(3) M(-1), repectively, at 25 degrees C and for a 1.00 M perchlorate medium. The rate expression, k(obsd) = k(1)[RCOOH] + k(-1)[H+], indicates that reaction between palladium and carboxylate anions is negligible under the experimental conditions used. Values for k(1)/M(-1) s(-1), k(-1)/M(-1) s(-1), Delta H-1 double dagger/kJ mol(-1), Delta H(-1)double dagger/kJ mol(-1), Delta S-1 double dagger/JK(-1) mol(-1), Delta S(-1)double dagger/JK(-1) mol(-1), Delta V-1 double dagger/cm(3) mol(-1), and Delta V(-1)double dagger/cm(3) mol(-1) at 25.0 degrees C are 19.3 +/- 0.6, 32.8 +/- 0.2, 52.5 +/- 0.4, 57.5 +/- 0.4, -44 +/- 1, -23 +/- 1, -8.1 +/- 0.3, and -1.7 +/- 0.2 for acetic acid; 12.0 +/- 1.1, 26.4 +/- 0.3, 55.3 +/- 0.6, 56.8 +/- 0.3, -32 +/- 2, -34 +/- 1, -8.9 +/- 0.8, and -1.7 +/- 0.2 for propionic acid; and 21.1 +/- 0.3, 13.7 +/- 0.1, 53.6 +/- 0.4, 59.2 +/- 0.6, -40 +/- 1, -25 + 2, -3.4 +/- 0.2, and -2.3 +/- 0.2 for glycolic acid. There is no relation between formation rate constants and pK(a) for these carboxylic acids. The nucleophilic properties of the carboxylic acids toward palladium(II) are similar to those of water molecules. A trigonal bipyramidal transition state stabilized by hydrogen bonding between the entering carboxylic acid and the leaving aqua ligand or (equivalent) between the entering oxonium ion and the leaving carboxylate ligand is suggested. Negative entropies, volumes of activation, and volume profiles support a strong contribution from bond making in the activation process.

  DOI：

  10.1021/ic950935u