| 141312-15-4

• 分子结构分类: 有机化合物 - 有机硫化合物
• CAS: 141312-15-4
• 化学式: H₂Si
• 分子量: 32.0855
• InChiKey: SYWMLUYLILUMRO-DICFDUPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.92
• 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

• 作为反应物：
  描述：

  、 硅烷 以 neat (no solvent) 为溶剂， 生成 、 、
  参考文献：
  名称：

  Sequential reactions of SiD⁺₂ with SiD₄

  摘要：

  The thermal (300 K) reaction of SiD+2 with SiD4 proceeds at greater than the Langevin collision rate (21±3×10−10 cm3/molecule s ). The reaction products SiD+3, Si2D+2, and Si2D+4 are produced in a 54:7:39 ratio. Both silicon isotope exchange and adduct (Si2D+6) formation are <1% of the collision rate at silane pressures of 1–4×10−7 Torr. The branching ratio for SiD+3 formation increases with increasing internal energy of SiD+2. Sequential reactions of SiD+3 and Si2D+2 with SiD4 have been previously found to produce terminal species containing five silicon atoms. Si2D+4 reacts with SiD4 only by silicon isotope exchange at 2.0±0.7% of the collision rate (0.20±0.07×10−10 cm3/molecule s ) with no evidence of other reactions (<0.5% of the collision rate). Reaction of SiD+2 with SiD4 does not lead to unconstrained clustering and particle formation in silane plasmas. High level ab initio calculations on this system are reported by Raghavachari in his companion paper. Energies of the critical intermediates and transition states along the reaction surface are compared quantitatively to the experimental results via phase space calculations. The energies agree to within 6 kcal/mol.

  DOI：

  10.1063/1.462834
• 作为产物：
  描述：

  硅烷 、 乙烷-d6 以 gaseous matrix 为溶剂， 生成 、 、 、 、
  参考文献：
  名称：

  Boo; Armentrout, Journal of the American Chemical Society, 1991, vol. 113, # 18, p. 6401 - 6408

  摘要：

  DOI：