| 124709-24-6

• CAS: 124709-24-6
• 化学式: H₂Si
• 分子量: 30.0159
• InChiKey: SYWMLUYLILUMRO-IGMARMGPSA-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

• 作为产物：
  描述：

  硅烷 生成 、
  参考文献：
  名称：

  The generation and trapping of ²⁸SiH⁺₂ and ²⁹SiH⁺₂ in neon matrices at 4 K: Electron spin resonance and theoretical investigations

  摘要：

  The 28SiH+2 29SiH+2 cation radicals have been generated under neon matrix deposition conditions at 4 K by the photoionization (16.8 eV) of SiH4(g). A resolution of the 29Si and hydrogen A tensors was possible which enables a complete characterization of the unpaired electron in this highly reactive ionic species for its X 2A1 ground electronic state. The A tensor assignments were facilitated by the occurrence of preferential orientation of the isolated SiH+2 molecule in the neon lattice. Ab initio theoretical calculations of the nuclear hyperfine tensors were conducted which showed good agreement with the experimental results. The experimental magnetic parameters in neon at 4 K are: gx=2.0043(3), gy=1.9970(3), gz =2.0018(3); Ax(H) =110.4(3), Ay (H)=124.1(3), Az (H)=116.6(3); for 29Si, Ax =−762.9(3), Ay =−760.8(3) and Az=−1005.0(3) MHz where X is perpendicular to the molecular plane and Z lies along the C2 axis of the C2v radical. No experimental evidence for SiH+4 or the complex, SiH+2 ⋅⋅⋅H2 was obtained. Theoretical calculations indicate that hyperfine structure from the ‘‘complexed’’ H2 should be resolvable if this species was present. However, rotational averaging of H2 above the SiH+2 plane would reduce the hfi of H2 and might prevent its detection.

  DOI：

  10.1063/1.456911