| 110015-57-1

• CAS: 110015-57-1
• 化学式: H₃Si
• 分子量: 34.0855
• InChiKey: SCABQASLNUQUKD-FIBGUPNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.72
• 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 gas 为溶剂， 生成
  参考文献：
  名称：

  Mandich, M. L.; Reents, W. D. Jr.; Kolenbrander, K. D., Pure and Applied Chemistry, 1990, vol. 62, p. 1653 - 1660

  摘要：

  DOI：
• 作为产物：
  描述：

  、 硅烷 生成 、 silane
  参考文献：
  名称：

  H/D isotope exchange reaction of SiH⁺₃ with SiD₄ and SiD⁺₃ with SiH₄: Evidence for hydride stripping reaction

  摘要：

  We have measured the reaction rates and product distributions for SiHxD+3−x reactions with SiH4 and SiD4. The measured reaction rates for SiH+3 and SiD4 (26.1±1.0×10−10 cc/molecule s) and for SiD+3 and SiH4 (23.1±1.0×10−10 cc/molecule s) are greater than the calculated Langevin collision rate (12.3–12.4×10−10 cc/molecule s). Also, the product distribution observed for H/D exchange is nonstatistical. Dual, competing reaction mechanisms are invoked to account for these observations: reaction via formation of an ion-molecule complex and reaction via long-range hydride stripping. Using an expected product distribution calculated from reaction thermochemistries, the relative contributions of the two mechanisms is obtained for each reaction examined. The reaction rate for the ion-molecule complex mechanism is calculated to be at the Langevin collision rate within experimental error. The reaction rate for the stripping mechanism varies from 1–4×10−10 cc/molecule s (10–30% of the Langevin collision rate) for the mixed isotope ions SiH2D+ and SiHD+2 to 12–18×10−10 cc/molecule s (100%–150% of the Langevin collision rate) for the isotopically pure ions SiH+3 and SiD+3. The faster than Langevin reaction rates lower the expected low field mobility of SiH+3 in silane plasmas by 70% to ∼340 cm2 Torr/V s.

  DOI：

  10.1063/1.458860

文献信息

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

  DOI：——

  日期：——
• Sequential reactions of SiD⁺₂ with SiD₄
  作者：W. D. Reents、M. L. Mandich

  DOI：10.1063/1.462834

  日期：1992.3.15

  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.