| 956406-65-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 956406-65-8
• 化学式: BaHO
• 分子量: 155.329
• InChiKey: XZGCPOSUWCQZEU-DYCDLGHISA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.56
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  重水 、 barium 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  与原子过渡金属和主族阳离子的重水反应：气相室温动力学和反应周期。

  摘要：

  使用感应耦合等离子体/选定离子流管串联质谱仪在室温下在0.35 Torr的氦浴气体中用46种原子金属阳离子测量了重水D（2）O的反应。原子阳离子在约70℃下产生。在ICP源中5500 K，并在反应之前通过与Ar和He原子的碰撞使其辐射衰减并热化。报告了从K +到Se +的第四行原子阳离子，从Rb +到Te +（不包括Tc +）的第五行原子阳离子和从Cs +到Bi +的第六行原子阳离子反应的速率系数和产物分布。观察到主要反应通道导致O原子转移，OD转移和D2O添加。在与大多数早期过渡金属阳离子（Sc +，Ti +，V +，Y +，Zr +，Nb +，Mo +，Hf +，Ta +和W +），并在较小程度上（10％）与一种主族阳离子（As +）结合。观察到OD转移仅在三种阳离子（Sr +，Ba +和La +）下发生。观察到其他阳离子，包括大多数后期跃迁和主族阳离子，仅通过添加D2O即可与D2O缓

  DOI：

  10.1021/jp072661p

文献信息

• Deuterium Structural Effects in Inorganic and Bioinorganic Aggregates
  作者：Jaeho Lee、N. Dennis Chasteen、Guanghua Zhao、Georgia C. Papaefthymiou、Sergiu M. Gorun

  DOI：10.1021/ja011447q

  日期：2002.3.1

  iron storage protein ferritin are likewise different when mineralization is carried out in heavy water. The formation of extra inorganic solids, change in the ratio of two phases or alteration of a single phase morphology in D(2)O suggest that new inorganic and bioinorganic metal complexes might be obtained by using the thermodynamic isotope effect.

  氘动力学同位素效应广泛用于化学和生物研究。然而，氘对无机材料的水合合成的热力学影响似乎尚未被认识到。在这里我们报告在固态锰复合物的合成中用 D(2)O 简单替换 H(2)O 会导致新的结构和磁性不同的阶段。当合成铁氧化物时，在 H(2)O 与 D(2)O 中获得的矿物相的相对量是不同的。当在重水中进行矿化时，储铁蛋白铁蛋白的铁核的形态和磁性也不同。额外无机固体的形成，
• Catalytic Oxidation of H₂ by N₂O in the Gas Phase: O-Atom Transport with Atomic Metal Cations
  作者：Voislav Blagojevic、Galina Orlova、Diethard K. Bohme

  DOI：10.1021/jp805106d

  日期：2008.10.16

  Twenty-five atomic cations, M+, that lie within the thermodynamic window for O-atom transport catalysis of the oxidation of hydrogen by nitrous oxide, have been checked for catalytic activity at room temperature with kinetic measurements using an inductively-coupled plasma/selected-ion flow tube (ICP/SIFT) tandem mass spectrometer. Only 4 of these 25 atomic cations were seen to be catalytic: Fe+, Os+, Ir+, and Pt+. Two of these, It(+) and Pt+, are efficient catalysts, while Fe+ and Os+ are not. Eighteen atomic cations (Cr+, Mn+, Co+, Ni+, Cu+, Ge+, Se+, Mo+, Ru+, Rh+, Sn+, Te+, Re+, Pb+, Bi+, Eu+, Tm+, and Yb+) react too slowly at room temperature either in their oxidation with N2O to form MO+ or in the reduction of MO+ by H-2. Many of these reactions are known to be spin forbidden and a few actually may lie outside the thermodynamic window. Three alkaline-earth metal monoxide cations, CaO+, SrO+, and BaO+, were observed to favor MOH+ formation in their reactions with H-2. A potential-energy landscape is computed for the oxidation of H-2 with N2O catalyzed by Fe+(D-6) that vividly illustrates the operation of an ionic catalyst and qualitatively accounts for the relative inefficiency of this catalyst.
• Kellersohn, Thomas; Beckenkamp, Konrad; Lutz, Heinz Dieter, Acta Crystallographica, Section C: Crystal Structure Communications, <hi>1991</hi>, vol. 47, p. 483 - 486
  作者：Kellersohn, Thomas、Beckenkamp, Konrad、Lutz, Heinz Dieter、Jansen, Ekkehard

  DOI：——

  日期：——