Cadmium;nickel | 12515-19-4

• 分子结构分类: 无机化合物 - 均相金属化合物 - 均相过渡金属化合物
• 英文名称: Cadmium;nickel
• 英文别名: cadmium;nickel
• CAS: 12515-19-4
• 化学式: Cd₅Ni
• 分子量: 620.74
• InChiKey: YSTHBVQTAJBQES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  镍 、 镉 在 silica gel 作用下， 反应 72.0h， 生成 Cadmium;nickel
  参考文献：
  名称：

  Composite Icosahedron/Cube Endohedral Clusters in Rh₂Cd₁₅

  摘要：

  We present Rh2Cd15, the first binary compound in the Rh-Cd system. It is based on transition-metal embedded (Rh@Cdi(11) and Rh@Cd-12) endohedral Cd clusters: that are single- and double-capped IC10 composite icosahedra/cubes. We demonstrate the structural connections between the clusters. On the basis of the analysis of atomic interactions and electron counting, 50 electrons per Rh2Cd15 is postulated to be the boundary between bonding and antibonding interactions. This understanding is supported by electronic structure calculations showing that the electron count for Rh2Cd15 (48 electrons per Rh2Cd15) is located close to a deep pseudogap in the in the electronic density of states at 50 electrons per formula unit, which we postulate is an important factor in determining the new compound's stability.

  DOI：

  10.1021/acs.inorgchem.6b01000