tungsten hexahydride | 68934-26-9

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: tungsten hexahydride
• CAS: 68934-26-9
• 化学式: H₆W
• 分子量: 189.898
• InChiKey: UEWMWKREKSBPAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.61
• 重原子数：
  1
• 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

• 作为反应物：
  描述：

  tungsten hexahydride 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  Neon Matrix Infrared Spectrum of WH₆:  A Distorted Trigonal Prism Structure

  摘要：

  Reactions of laser-ablated W atoms and H(2) molecules during condensation in excess neon give the WH, WH(2), WH(3), WH(4), and WH(6) hydride products. WH(6) absorptions increase on annealing to allow diffusion and further reaction of H(2) and decrease on photolysis such that six infrared bands can be grouped and assigned to WH(6). Excellent agreement between four observed neon matrix and four DFT calculated W-H stretching modes (two a(1) and two e) and bending and deformation modes (a(1) and e) confirms the present neon matrix preparation of WH(6) and the previous theoretical predictions of a distorted trigonal prism structure which is far from octahedral.

  DOI：

  10.1021/ja020216w
• 作为产物：
  描述：

  氢气 、 钨 以 gaseous matrix 为溶剂， 生成 Molecular hydrogen;tungsten 、 tungsten trihydride 、 tungsten hydride 、 Tungsten tetrahydride 、 tungsten hexahydride
  参考文献：
  名称：

  Neon Matrix Infrared Spectrum of WH₆:  A Distorted Trigonal Prism Structure

  摘要：

  Reactions of laser-ablated W atoms and H(2) molecules during condensation in excess neon give the WH, WH(2), WH(3), WH(4), and WH(6) hydride products. WH(6) absorptions increase on annealing to allow diffusion and further reaction of H(2) and decrease on photolysis such that six infrared bands can be grouped and assigned to WH(6). Excellent agreement between four observed neon matrix and four DFT calculated W-H stretching modes (two a(1) and two e) and bending and deformation modes (a(1) and e) confirms the present neon matrix preparation of WH(6) and the previous theoretical predictions of a distorted trigonal prism structure which is far from octahedral.

  DOI：

  10.1021/ja020216w