methyleneaminyl | 15845-29-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: methyleneaminyl
• 英文别名: methylene amidogen radical；Methyleniminoradikal；Methyleniminyl-Radikal；Amidogen, methylene-
• CAS: 15845-29-1
• 化学式: CH₂N
• 分子量: 28.0336
• InChiKey: PZIDJKOIMRBQLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  2
• 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：
  1
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  methyleneaminyl 在 (dimerization) 作用下， 生成 methanalazine
  参考文献：
  名称：

  Roberts,B.P.; Winter,J.N., Journal of the Chemical Society. Perkin transactions II, 1979, p. 1353 - 1361

  摘要：

  DOI：
• 作为产物：
  描述：

  methanalazine 以 neat (no solvent, gas phase) 为溶剂， 生成 methyleneaminyl
  参考文献：
  名称：

  Electronic Absorption Spectra of Methanal Azine and the Methyleniminyl Free Radical

  摘要：

  The methyleniminyl free radicals, H2CN, HDCN, and D2CN have been produced from flash photolysis of their stable dimers, the methanal azines H2CNNCH2, HDCNNCHD, and D2CNNCD2. The electronic absorption spectra of both radicals and parent substances are presented and discussed in terms of simple molecular orbital descriptions of the transitions. The photochemical processes are related to these transitions, and applications to the corresponding hydrocarbon diene, butadiene-1,3, are noted.

  DOI：

  10.1063/1.1669419

文献信息

• Rate constant for the reaction of N(4S) with CH3 AT 298 K
  作者：L.J. Stief、G. Marston、D.F. Nava、W.A. Payne、F.L. Nesbitt

  DOI：10.1016/0009-2614(88)80270-7

  日期：1988.6

  absolute rate constant for the reaction of N(4S) with CH3 has been determined at 298 K in a discharge flow system coupled with collision-free sampling mass spectrometry at low electron energies. The rate constant was determined under pseudo-first-order conditions with [N] > [CH3]. The result is k1 = (8.6±2.0) × 10−11 cm3 s−1. This is compared to a previous estimated value as well as values of rate constants

  N（4 S）与CH 3的反应的绝对速率常数已在298 K的放电流系统中结合低电子能量的无碰撞采样质谱法确定。速率常数是在[N]> [CH 3 ]的伪一阶条件下确定的。结果是k 1 =（8.6±2.0）×10 -11 cm 3 s -1。将其与先前的估计值以及其他原子+自由基反应的速率常数值进行比较。
• Unstable intermediates. Part LXII. Electron spin resonance studies of hyperconjugation in the radicals H2CN and (CH3)3N+
  作者：J. A. Brivati、K. D. J. Root、M. C. R. Symons、D. J. A. Tinling

  DOI：10.1039/j19690001942

  日期：——

  The spin density distributions in the radicals H2CN and (CH3)3N+ are estimated from e.s.r. spectra and interpreted in terms of hyperconjugation. A comparison is made with the distributions in the related HCN–, HCO, and alkyl radicals.

  自由基H 2 CN和（CH 3）3 N +中的自旋密度分布是根据esr光谱估算的，并根据超共轭进行了解释。比较了相关的HCN –，HCO和烷基的分布。
• E.s.r. detection of alkylideneamino radicals in the reaction of nitrogen atoms with alkenes
  作者：Peter J. Brooke、Brynmor Mile

  DOI：10.1039/c39800000395

  日期：——

  Intermediates formed in the gas-phase reaction of nitrogen atoms with alkenes have been trapped in an inert matrix using a rotating cryostat; e.s.r. examination of the frozen samples has shown the presence of methyleneamino (CH2N·) and alkylideneamino (RCHN·) radicals.

  氮原子与烯烃的气相反应中形成的中间体已使用旋转低温恒温器捕获在惰性基质中。冷冻样品的esr检查表明存在亚甲基氨基（CH 2 N·）和亚烷基氨基（RCH N·）自由基。
• Measurement of the photoionization spectra and ionization thresholds of the methyleneamidogen and methyleneamidogen-d2 radicals
  作者：F. L. Nesbitt、G. Marston、L. J. Stief、M. A. Wickramaaratchi、W. Tao、R. B. Klemm

  DOI：10.1021/j100173a012

  日期：1991.10

  The photoionization spectra of the H2CN and D2CN radicals were obtained by photoionization mass spectrometry (PIMS) using synchrotron radiation. The radicals were generated by the reaction of N with CH3 and CD3, respectively. For both H2CN and D2CN a prominent feature was observed near 118.6 nm (10.5 eV) and the ionization threshold was determined to be 9.4 +/- 0.1 eV; both features provide additional signatures for identifying H2CN in complex systems. By use of a corrected value for DELTA-H(f) (H2CN) derived from a recent electron affinity measurement and other available measured or calculated thermochemical quantities for H2CN and HCNH radicals and radical ions, a value of 10.8 +/- 0.6 eV for the ionization energy of H2CN was derived. The much lower value derived for the ionization energy of HCNH (6.8 and 7.0 eV for the cis and trans isomers, respectively) is consistent with the product of the N + CH3 reaction being the H2CN isomer and not HCNH. The ionization threshold observed at 9.4 eV is attributed to autoionization arising from high Rydberg states of H2CN which couple into vibrationally excited states of the linear HCNH+ ground state of the ion. Also discussed are the roles of the H2CN radical and HCNH+ radical ion in the chemistry of the atmosphere of Titan and in interstellar clouds.
• Branching ratios in the N+CH₃ reaction: Formation of the methylene amidogen (H₂CN) radical
  作者：G. Marston、F. L. Nesbitt、L. J. Stief

  DOI：10.1063/1.456878

  日期：1989.9.15

  The branching ratios for the reaction N+CH3 →Products, have been determined in a discharge-flow system coupled with mass-spectrometric detection of both reactants and products. The major products are H2 CN+H, with about 10% of the reaction proceeding to give HCN+H2 . Experiments carried out on the reaction of N atoms with the deuterated methyl radical showed that the branching ratio for formation of D2 CN+D is about 0.9 and for DCN+D2 formation about 0.1 independent of T from 200 to 363 K. The results are consistent with the energetics and orbital symmetry properties of the reactant and product molecules. Implications for the atmosphere of Titan are discussed.