| 108064-80-8

• 分子结构分类: 有机化合物
• CAS: 108064-80-8
• 化学式: H₄Ti
• 分子量: 55.88
• InChiKey: XOOJFLWSRHQYJN-NJJOSUKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.07
• 重原子数：
  1.0
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  四氢化物钛 、 氘 以 neat (no solvent, gas phase) 为溶剂， 生成 dideuteriotitanium 、
  参考文献：
  名称：

  钒和钛与molecular和氩气中的氢分子在12 K下的反应

  摘要：

  Vanadium and titanium have been codeposited with molecular hydrogen in Kr and Ar matrices at 12 K. Both metals show photoreactivity toward molecular hydrogen and undergo insertion into the H-H bond to form metal dihydrides, MH2 (M = Ti, V). The symmetric and antisymmetric stretching frequencies have been detected for both VH2 and TiH2. The bond angles for TiH2 and VH2 were estimated to be 145 +/- 5-degrees and 127 +/- 5-degrees, respectively. The stretching force constants for TiH2 and VH2 were calculated to be 1.29 and 1.44 mdyn/angstrom, respectively. Vanadium monohydride was also identified as a photolysis product. Vibrational band assignments have also been made for TiH4. Small titanium clusters, Ti(n) were isolated and shown to react spontaneously with H-2.

  DOI：

  10.1021/j100160a015