methylsilanyliumdiyl | 12538-78-2

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: methylsilanyliumdiyl
• 英文别名: methylsilicon(1+)
• CAS: 12538-78-2
• 化学式: CH₃Si
• 分子量: 43.1203
• InChiKey: NEILKMWDUNZHIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  四甲基硅烷 、 methylsilanyliumdiyl 生成 甲基自由基 、 trimethylsilanylium 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  四甲基硅烷（CH 3）4 Si中的离子化学

  摘要：

  已经通过傅里叶变换质谱法测量了四甲基硅烷（（CH 3）4 Si或TMS）通过电子撞击进行简单和解离电离的横截面。总电离横截面在30至70 eV之间为8.5 x 10 -16 cm 2。该分子离子是Jahn-Teller不稳定的，具有离解电离形成（CH 3）3 Si +占主导地位的质谱。CH 3 SiH 2 +和CH 3 Si +与TMS快速反应生成（CH 3）3 Si +。（CH3）3 Si +不与TMS反应，但会被背景水蒸气缓慢水合。

  DOI：

  10.1016/0009-2614(94)01313-k
• 作为产物：
  描述：

  甲基硅烷 在 硅烷 作用下， 以 gas 为溶剂， 生成 methylsilanyliumdiyl 、 二氢甲基甲硅烷基阳离子
  参考文献：
  名称：

  The reactions of Si⁺ ions with CH₃SiH₃, CH₃SiD₃, C₂H₆, and CH₃CHD₂

  摘要：

  The reactions of Si+ with CH3SiH3, CH3SiD3, C2H6, and CH3CHD2 have been studied in a tandem mass spectrometric apparatus over the kinetic energy range of 1–10 eV laboratory-frame-of reference (LAB). In all systems, the major process is the formation of SiCH+3, as well as SiCH2D+ and SiCHD+2 in the case of the reaction with CH3CHD2. It is shown that in the reaction of Si+ with CH3SiH3 and CH3SiD3, the process is best described as a Walden inversion, while in the reaction with C2H6 and CH3CHD2, the process appears to approximate the spectator stripping model or modified spectator stripping (polarization-reflection model). In the reaction with CH3CHD2, the slight preference of Si+ to strip the CH3 radical rather than the CHD2 radical is shown to be in accord with a cross-sectional energy dependence of approximately E−1.

  DOI：

  10.1063/1.461978

文献信息

• Ion beam studies of the reaction of Si+(2P) with methane. Reaction mechanisms and thermochemistry of SiCHx+ (x = 1-3)
  作者：B. H. Boo、J. L. Elkind、Peter B. Armentrout

  DOI：10.1021/ja00162a007

  日期：1990.3

  of SiCHsub 3}sup +} or HSiCHsub 2}sup +}. Minor ionic products include SiCHsub 2}sup +}, CHsub 3}sup +}, and SiCHsup +}. The former product can be formed via the concomitant formation of molecular hydrogen or two hydrogen atoms. The latter process is much more efficient. All observed products are consistent with a reaction that occurs via an HSiCHsub 3}sup +} intermediate. From the measured

  引导离子束质谱法用于检查基态硅离子与甲烷的反应。所有产品的绝对横截面都是从近热到 14 eV 的相对动能测量的。仅观察到吸热过程，SiHsup +} 和 SiHsub 3}Csup +} 作为主要离子产物。有证据表明后一种物质有两种形式，Sisup +}-CHsub 3} 在低能量下形成和较高能量形式，可能是 SiCHsub 3}sup +} 或 HSiCH 的三重态子 2}sup +}。次要离子产物包括SiCHsub 2}sup +}、CHsub 3}sup +}和SiCHsup +}。前一种产物可以通过同时形成分子氢或两个氢原子而形成。后一个过程效率更高。所有观察到的产物都与通过 HSiCHsub 3}sup +} 中间体发生的反应一致。根据测量的反应阈值和其他信息，推导出以下硅物种的 298 K 形成热 (kcal/mol)：Delta}sub f}Hdegree}(SiH)
• Unimolecular dissociation of methylsilylium and monochloromethylsilylium in the gas phase
  作者：R. Bakhtiar、C. M. Holznagel、D. B. Jacobson

  DOI：10.1021/j100151a014

  日期：1993.12

  The mechanisms for the lowest energy barrier pathways for unimolecular dissociation of CH3SiH2+ and CH3-Si(Cl)H+ were examined in the gas phase by using Fourier transform mass spectrometry (FIMS). Collision-activated dissociation (CAD) by using sustained ''off-resonance'' irradiation (SORI) was used to determine the lowest energy pathways for dissociation. The lowest energy pathway for decomposition of CH3SiH2+ is dehydrogenation. The mechanism for this dehydrogenation process was investigated by studying the decomposition of CH3SiD2+. Unfortunately, isotopic scrambling by reversible 1,2-hydrogen migrations precede dehydrogenation. Hence, no mechanistic information is obtained from this isotopic labeling experiment. SORI-CAD of CH3SiD2+ yields dehydrogenation as H-2 (0.67) and HD (0.33) with no D2 loss. The lowest energy pathway for dissociation of CH3Si(Cl)H+ is elimination of HCl. In contrast to CH3SiD2+, CH3Si(CI)D+ does not undergo isotopic scrambling upon CAD. SORI-CAD of CH3Si(Cl)D+ yields exclusive elimination of HCl(1,2-elimination) to yield CH2SiD+. Hence, the lowest energy pathway for dissociation of CH3Si(Cl)H+ is 1,2-elimination of HCI. 1,1-Elimination of DCl from CH3Si(CI)D+ to yield CH3Si+ is 38 kcal/mol more favorable than the 1,2-elimination process. Consequently, there must be a prohibitive barrier for the energetically more favorable 1,1-elimination process.
• Boo; Armentrout, Journal of the American Chemical Society, 1991, vol. 113, # 18, p. 6401 - 6408
  作者：Boo、Armentrout

  DOI：——

  日期：——
• Reactivity of ionic silicon clusters with methylsilane studied by Fourier transform ion cyclotron resonance mass spectrometry
  作者：M. L. Mandich、W. D. Reents、V. E. Bondybey

  DOI：10.1021/j100402a013

  日期：1986.5