| 213621-10-4

• CAS: 213621-10-4
• 化学式: H₁₀Ni
• 分子量: 68.7694
• InChiKey: RPNOLAHFLSZJPC-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

• 作为产物：
  描述：

  氢气 、 镍 以 neat (no solvent, gas phase) 为溶剂， 生成 、 、 、 、
  参考文献：
  名称：

  Ni+(H2)n: Ligand bond energies for ground state ions

  摘要：

  The H-2 ligand binding energies in Ni+ (H-2)(n) were measured to be 17.3, 17.6, 11.3, 7.1 and 4.2 kcal/mol, for n = 1-5, respectively. The very weakly bound sixth ligand begins a new solvation sphere. Association entropies were also measured. MP2 calculations were done to determine geometries and vibration frequencies as well as the origin of the bonding. The observed changes in BDE with ligation are due to electronic rather than steric effects. Comparisons are made to the Fe+(H-2)(n), Co+(H-2)(n), Cu+(H-2)(n) and Ni+(CO)(n) systems. A highly symmetric D-3h planar structure is found in Ni+(H-2)(3) and forms the core of the Ni+(H-2)(4,5) ions. (C) 1998 Published by Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0009-2614(98)00831-8