methylnitrene | 27770-42-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: methylnitrene
• 英文别名: methylazanediyl；nitrogen-methane
• CAS: 27770-42-9
• 化学式: CH₃N
• 分子量: 29.0415
• InChiKey: PSWKVGHKABDSRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 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：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  叠氮基甲烷 生成 methylnitrene
  参考文献：
  名称：

  甲基硝基的结构

  摘要：

  此后，在这种电子状态下，建立了更复杂的 Mn2(CO)lo 光化学途径。它涉及两种主要的光产物，由于 Mn-Mn 键均裂和 CO 损失，其相对产率对环境影响敏感。在没有溶剂笼效应的情况下，旨在探索该分子在气相中的光化学性质的实验目前正在进行中。 u* 状态使用 350-nm 光子。在该能量下光解产生大约等量的 MII,(CO)~+ 和 Mn(CO),+。这些结果是在我们的仪器中可以获得信号的最低激光通量下获得的。碎片的相对强度和程度极其依赖于激光通量。在更高的激光通量下，多光子过程变得重要并且高度解离的碎片，例如 Mn+、Mn2+、Mn(CO)+ 和 Mn2(CO),+，在光谱中占主导地位。这种极端依赖

  DOI：

  10.1021/ja00251a008

文献信息

• Direct Observation of an Imidoylnitrene: Photochemical Formation of PhC(=NMe)−N and Me−N from 1-Methyl-5-phenyltetrazole
  作者：Manabu Abe、Didier Bégué、Hugo Santos-Silva、Alain Dargelos、Curt Wentrup

  DOI：10.1002/anie.201712689

  日期：2018.3.12

  razole 6 at 5 K and characterized by its ESR spectrum (|D/hc|=0.9602, |E/hc|=0.0144 cm−1). In addition, the triplet excited states of 6 and of 2‐methyl‐5‐phenyltetrazole 11 were also observed by ESR spectroscopy in the 5 K matrices (6: |D/hc|=0.123 cm−1, E/hc=0.0065 cm−1, 11: |D/hc|=0.126 cm−1, |E/hc|=0.0056 cm−1). The imidoylnitrene 8 is unstable both thermally (disappearing at 80 K) and photochemically

  的imidoylnitrene 8，Ñ甲基Ç -phenylimidoylnitrene，已经由1-甲基5-苯基四唑的激光光解产生6以5K并且其特征在于它的ESR谱（| d / HC | = 0.9602，| ë / HC | = 0.0144 cm -1）。此外，在5 K矩阵中，通过ESR光谱也观察到了6和2-甲基-5-苯基四唑11的三重激发态（6：| D / hc | = 0.123 cm -1，E / hc = 0.0065 cm -1，11：| D / hc | = 0.126 cm -1，| E / hc | ＝ 0.0056cm -1）。酰亚胺基亚硝烯8在热（在80K下消失）和光化学（在266nm下连续照射下消失）均不稳定。甲基（苯基）碳二亚胺是光解的最终产物。
• Reactions of N(2 2D) with methane and deuterated methanes
  作者：Hironobu Umemoto、Takanobu Nakae、Hideomi Hashimoto、Koichi Kongo、Masahiro Kawasaki

  DOI：10.1063/1.477206

  日期：1998.10.8

  NH radicals and H atoms were identified as products in the reaction of N(2D) with CH4. The absolute yields of NH and H were determined to be 0.3±0.1 and 0.8±0.2, respectively. The rotational state distributions of NH (v″=0) for CH4 and partially deuterated methanes, CHnD4−n (n=1–3), are single modal and peak at N″=13±2, while the vibrational population ratios, NH (v″=1)/NH (v″=0), are 0.6. The rotational energy distribution of ND (v″=0) from CD4 is similar to that for NH (v″=0). The ND (v″=1)/ND (v″=0) ratio is 0.6. Doppler profiles of H and D atoms were measured to evaluate the energy released to the translational mode. It was between 72 and 85 kJ mol−1, suggesting the following H atom production mechanism: N(2D)+CH4→H+CH2NH. The H+CH3N channel is minor. In the reactions with partially deuterated methanes, the isotopic ratios, [H]/[D] and [NH]/[ND], are larger than the stoichiometric ratios in the reactant methanes. These results suggest that C–H bonds are more reactive to N(2D) than C–D bonds, while H atoms are ejected more preferentially than D atoms.
• Gronert, Scott; O'Hair, Richard A. J.; Prodnuk, Stephen, Journal of the American Chemical Society, 1990, vol. 112, p. 998 - 1003
  作者：Gronert, Scott、O'Hair, Richard A. J.、Prodnuk, Stephen、Suelzle, Detlev、Damrauer, Robert、DePuy, Charles H.

  DOI：——

  日期：——
• Photodissociation of methylazide: Observation of triplet methylnitrene radical
  作者：Liming Ying、Yu Xia、Hairong Shang、Xinsheng Zhao、Youqi Tang

  DOI：10.1063/1.472423

  日期：1996.10.8

  An investigation of the photodissociation of methylazide at wavelengths from 292 nm to 325 nm is presented. Emission spectra and lifetime analysis show the existence of the triplet CH3N radical. A simple kinetic model is proposed to explain the observed fluorescence real time profile, which reflects the vibrational relaxation of hot radical at high pressures. The photodissociation dynamics of methylazide seems complex. The predominant channel is likely to produce CH2NH via concerted 1,2-hydrogen shift and N2 extrusion process. The triplet CH3N comes from a minor spin-forbidden channel which involves possibly strong interaction between the low-lying excited singlet and triplet states of methylazide.
• The structure of the methylnitrene radical
  作者：P. G. Carrick、C. R. Brazier、P. F. Bernath、Paul C. Engelking

  DOI：10.1021/ja00251a008

  日期：1987.8

  MII,(CO)~+ and Mn(CO),+ are generated on photolysis at this energy. These results are obtained at the lowest laser flux at which signal can be obtained in our instrument. The relative intensities and extent of fragmentation are extremely dependent on laser flux. At higher laser fluxes multiphoton processes become important and highly dissociated fragments, such as Mn+, Mn2+, Mn(CO)+, and Mn2(CO),+,

  此后，在这种电子状态下，建立了更复杂的 Mn2(CO)lo 光化学途径。它涉及两种主要的光产物，由于 Mn-Mn 键均裂和 CO 损失，其相对产率对环境影响敏感。在没有溶剂笼效应的情况下，旨在探索该分子在气相中的光化学性质的实验目前正在进行中。 u* 状态使用 350-nm 光子。在该能量下光解产生大约等量的 MII,(CO)~+ 和 Mn(CO),+。这些结果是在我们的仪器中可以获得信号的最低激光通量下获得的。碎片的相对强度和程度极其依赖于激光通量。在更高的激光通量下，多光子过程变得重要并且高度解离的碎片，例如 Mn+、Mn2+、Mn(CO)+ 和 Mn2(CO),+，在光谱中占主导地位。这种极端依赖