disilicon carbide | 127538-14-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: disilicon carbide
• 英文别名: silicon carbide cluster；1,3-Disilaallene
• CAS: 127538-14-1
• 化学式: CSi₂
• 分子量: 68.182
• InChiKey: UHWJBUHEONRYRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.04
• 重原子数：
  3
• 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

• 作为产物：
  描述：

  甲烷 、 硅烷 生成 disilicon carbide
  参考文献：
  名称：

  Fourier transform vibrational spectroscopy of Si₂C in solid Ar

  摘要：

  A Fourier transform infrared study of the vibrational spectrum of Si2C produced by vaporizing mixtures of silicon and carbon-12 or carbon-13 and quenching the products in Ar at 13 K has confirmed a previously observed vibration at 1188.4 cm−1 as the ν″3(b2), antisymmetric Si–C stretching mode, and resulted in the identification of a new vibration at 839.5 cm−1 as the ν1(a1), symmetric Si–Si stretching fundamental. No bending mode has been observed; however, the identification of an absorption at 1354.8 cm−1 as the ν″2(a1)+ν3(b2) combination band is proposed. The results are confirmed by 13C, 29Si, and 30Si isotopic data and are in excellent agreement with the predictions of ab initio calculations carried out by Rittby in collaboration with this work. Force constant adjustment calculations confirm the ground state geometry as a floppy, bent symmetrical structure.

  DOI：

  10.1063/1.461636