methanide | 15194-58-8

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均质其他非金属化合物
• 英文名称: methanide
• 英文别名: carbanide
• CAS: 15194-58-8
• 化学式: CH₃
• 分子量: 15.0348
• InChiKey: LGRLWUINFJPLSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  1
• 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：
  1

反应信息

• 作为反应物：
  描述：

  methanide 在 氧气 作用下， 生成 formyl anion
  参考文献：
  名称：

  Gas-phase reactions of the methyl anion

  摘要：

  DOI：

  10.1021/ja00185a016
• 作为产物：
  描述：

  乙烷 生成 methanide 、 [3H]甲基鎓
  参考文献：
  名称：

  Plessis, Pierre; Marmet, Paul, Canadian Journal of Chemistry, 1987, vol. 65, p. 1424 - 1432

  摘要：

  DOI：

文献信息

• Collision-induced dissociations of substituted benzyl negative ions in the gas phase. The elimination of C4H4
  作者：Graeme J. Currie、John H. Bowie、Ralph A. Massy-Westropp、Gregory W. Adams

  DOI：10.1039/p29880000403

  日期：——

  The major collision-induced dissociations of PhEt2 involve the losses of H˙, H2, and CH4. Loss of H˙ occurs from the phenyl ring, H2 is eliminated principally by the process PhEt2→ PhC(Et)CHCH2–+ H2, while methane is lost by the stepwise process PhEt2→Me–[Ph(Et)CCH2]}→(C6H4)–C(Et)CH2+ CH4, in which the second step (deprotonation) is rate-determining. The characteristic fragmentation of both Ph2CH–

  Ph Et 2的主要碰撞诱导解离涉及H 3，H 2和CH 4的损失。H 4的损失是由苯环引起的，H 2主要通过过程Ph Et 2 →PhC（Et）CHCH 2 – + H 2消除，而甲烷则通过逐步过程Ph Et 2 →Me – [Ph （Et）C CH 2 ]}→（C 6 H 4）– C（Et）CH 2 + CH 4，其中第二步（去质子化）是速率测定。既PH的特征碎片2 CH -且Ph 3 Ç -为C的损失4 ħ 4。这种损失是在没有原子随机化的情况下发生的，因此提出了杜瓦瓶中间体。离子Ph 3 C –也失去C 6 H 6；这是一个缓慢的过程，在环内和环间加氢之前或同时进行。
• A theoretical study of fluorine atom and fluoride ion attack on methane and silane
  作者：Larry P. Davis、Larry W. Burggraf、Mark S. Gordon、Kim K. Baldridge

  DOI：10.1021/ja00301a008

  日期：1985.7

  more easily than substitution, silicon can undergo either substitution or abstraction quite easily. The analysis in the case of fluoride ion attack on silane is complicated by the predicted ease of formation of a stable trigonal-bi pyramidal intermediate. Silicon chemistry is increasingly important to many products of materials science including catalysts, semiconductors, organosilicon polymers, ceramics

  我们已经对氟原子攻击甲烷和硅烷的反应进行了 MNDO 和 ab initio 计算，此外，在 MNDO 的情况下，氟离子攻击了相同的分子。我们在每种情况下都对替代反应和抽象反应进行了建模。在可获得的情况下，将结果与实验数据进行比较。比较表明，MNDO 在再现这些反应的 DE 的实验值时通常与 ab initio 方法一样好，但 MNDO 在大多数情况下预测激活势垒太高。尽管如此，MNDO 确实在质量上同意 ab initio 的结果，虽然碳比取代更容易经历抽象，但硅可以很容易地经历取代或抽象。由于预计容易形成稳定的三角双锥中间体，氟离子对硅烷的攻击使分析变得复杂。硅化学对许多材料科学产品越来越重要，包括催化剂、半导体、有机硅聚合物、陶瓷、玻璃和复合材料。我们特别感兴趣的是二氧化硅表面及其与有机分子的相互作用。在所有这些应用中，用于预测硅化学的有效、准确的理论模型可以产生 tu.s. 空军学
• Mercer, Roger S.; Harrison, Alex G., Canadian Journal of Chemistry, 1988, vol. 66, p. 2947 - 2953
  作者：Mercer, Roger S.、Harrison, Alex G.

  DOI：——

  日期：——
• Anion yields produced by low-energy electron impact on condensed hydrocarbon films
  作者：Paul Rowntree、L. Parenteau、L. Sanche

  DOI：10.1021/j100165a054

  日期：1991.6

  Low-energy (0-20 eV) electron impact on thin condensed hydrocarbon films is observed to produce, via dissociative attachment and dipolar dissociation, significant yields of H- and much lower yields of CH(n)- (n = 1-3) fragment anions. These yields have been measured as a function of incident electron energy and film thickness for the saturated n-C(n)H2n+2 (n = 2, 4-9) and for the unsaturated 1-C(n)H2n (n = 2-4) hydrocarbons. Each type of anion desorbing from the saturated hydrocarbon films exhibits a single dissociative attachment resonance at approximately 10 eV, the energy of which is found to vary only slightly with hydrocarbon chain length, in contrast with the trends observed in the gas phase for H- formation from these systems. The hydrogen anion yields produced from the unsaturated species are similar to those from the saturated species, while the larger fragment anions typically demonstrate asymmetric or bimodal yield distributions. The thickness dependence of the anion yields suggests that the observed H- anions are formed in the uppermost 3-5 layers of the film, while the larger desorbing anion fragments arise from the first 1-2 layers.
• Generation of alkyl carbanions in the gas phase
  作者：Susan T. Graul、Robert R. Squires

  DOI：10.1021/ja00163a006

  日期：1990.3