dideuterio-methyl-silane | 18081-45-3

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: dideuterio-methyl-silane
• 英文别名: Methyldideuterosilan
• CAS: 18081-45-3
• 化学式: CH₆Si
• 分子量: 48.1283
• InChiKey: UIUXUFNYAYAMOE-CBTSVUPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  甲基二氯硅烷 在 lithium aluminium deuteride 作用下， 生成 dideuterio-methyl-silane
  参考文献：
  名称：

  Microwave Spectrum, Structure, and Internal Barrier of Methyl Silane

  摘要：

  The microwave spectrum of methyl silane has been reinvestigated. Seven symmetric top and ten asymmetric top isotopic species have been studied. These molecules, together with the six symmetric tops studied by Lide and Coles, yield a total of thirty-three rotational constants. A least-squares analysis of these constants gave the following structural parameters:     rSiC=1.8668±0.0005 A,    rCH=1.093±0.005 A,    rSiH=1.485±0.005 A,∠HCH=107∘40′±30′,∠HSiH=108∘15′±30′.Analysis of the spectra of the isotopic species CH2D–SiH2D and CH2D–SiHD2 shows conclusively that methyl silane in its equilibrium configuration has the methyl group staggered with respect to the silyl group. Certain transitions in the asymmetric top isotopic species, e.g., CH3SiH2D, are split into doublets because of coupling of over-all and internal rotation. These splittings were used to determine the barrier to internal rotation. The form of the potential hindering internal rotation was taken to be V = ½V3(1 — cos3α)+½V6(1 — cos6α), giving the result V3 = 1700±100 cal, V6∼0–150 cal. This is in reasonable agreement with the result of Kivelson's analysis of the J = 0→1 torsional satellites of CH3–SiH3.

  DOI：

  10.1063/1.1743646

文献信息

• Thermochemistry of silaethylene and methylsilylene from experiment and theory
  作者：Seung Koo. Shin、Karl K. Irikura、J. L. Beauchamp、William A. Goddard

  DOI：10.1021/ja00209a003

  日期：1988.1

  Utilisation de la spectrometrie de resonance cyclotronique ionique a transformee de Fourier pour l'energetique de la deprotonation du cation CH 3 SiD 2 + , ce qui permet d'obtenir les affinites protoniques des composes du titre. Chaleurs de formation et potentiel d'ionisation adiabatique

  利用 de la spectrometrie de resonance cyclotronique ionique a transformee de Fourier pour l'energetique de la deprotonation du cation CH 3 SiD 2 + , ce qui permet d'obtenir les affinites protoniques des composes du titre。Chaleurs de Formation etpotentiel d'ionisation adiabatique
• The ground state structures of disilane, methyl silane and the silyl halides, and an SiH bond length correlation with stretching frequency
  作者：J.L. Duncan、J.L. Harvie、D.C. McKean、S. Cradock

  DOI：10.1016/0022-2860(86)85027-x

  日期：1986.7