carbon nitride | 2074-87-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: carbon nitride
• 英文别名: cyano；azanylidynemethane
• CAS: 2074-87-5
• 化学式: CN
• 分子量: 26.0177
• InChiKey: JEVCWSUVFOYBFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 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：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  carbon nitride 以 neat (no solvent) 为溶剂， 生成 氰
  参考文献：
  名称：

  A new cobalt(0) cyanogen complex

  摘要：

  DOI：

  10.1016/s0020-1693(00)89144-6
• 作为产物：
  描述：

  氢氰酸 以 solid matrix 为溶剂， 生成 carbon nitride
  参考文献：
  名称：

  稀有气体中紫外线光解的自限性及其对基质研究的影响

  摘要：

  检查了嵌入稀有气体基质中的小分子的紫外光解。我们证明，当产品吸收光解辐射时，光解作用可以是自限性的。由于吸收增加，光解产物的原位检测发光饱和快于其浓度。特别地，本研究支持这样的结论，即Xe矩阵中含氢物质的193 nm光解产生的氢原子数量可与前体的其他解离部分相媲美。此外，我们显示193 nm辐射激活了退火过程中氢原子的迁移率，从而加速了与氢迁移率有关的光化学过程。

  DOI：

  10.1016/s0009-2614(98)00295-4
• 作为试剂：
  描述：

  乙烷 在 carbon nitride 作用下， 以 gaseous matrix 为溶剂， 20.9 ℃ 、1.33 kPa 条件下， 生成 乙烷 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  The initial vibrational state distribution of HCN X̃ 1Σ+(v1,0,v3) from the reaction CN(2Σ+)+C2H6→HCN+C2H5

  摘要：

  The reaction of the cyano radical (CN) with ethane was studied using time-resolved infrared absorption spectroscopy to monitor individual rovibrational states of the HCN product. A method is described that can be used to determine the initial vibrational state distribution at pressures of several Torr. This technique was applied to the title reaction to determine that the vibrational states of HCN(v1,0,v3), where v1, v3=0, 1, and 2, were not directly populated in the title reaction to any significant extent. The initial vibrational energy content of the CN radical was also varied but did not influence the initial population in the HCN vibrational levels probed in this experiment. The time dependence of HCN(v1,0,v3) was followed and interpreted in terms of bimolecular rate constants for vibrational relaxation with ethane. The title reaction is mode specific in its energy disposal in that at least every HCN product appears to have at least one quantum of bending excitation, likely in combination with stretching vibrations.

  DOI：

  10.1063/1.468995

文献信息

• Orientational Opacity Functions for the CN(A) and CN(B) Radical Formations in the Ar(³P) + CF₃CN Reaction
  作者：Dock-Chil Che、Toshio Kasai、Hiroshi Ohoyama、Keiji Kuwata

  DOI：10.1246/bcsj.67.1265

  日期：1994.5

  Using the oriented molecular beam, the orientational dependence of the CN(A) and of the CN(B) radical formation has been reinvestigated to obtain orientational opacity functions for the Ar(3P) + CF3CN reaction. The steric model with the Legendre polynomial expansion gave the best-fit functions which have two reactive sites on CF3CN. One site locates at the CN end and the other one near the C–F bonds. It was found that the CF3 end attack is the least favorable for both CN formations. These results substantiate the relationship between the shape of the 2e and 7a1 molecular orbitals of CF3CN and the orientational opacity functions.

  利用定向分子束技术，重新研究了Ar(3P) + CF3CN反应中CN(A)和CN(B)自由基形成的取向依赖性，以获得取向不透明函数。采用带勒让德多项式展开的立体模型得到了最佳拟合函数，该函数表明CF3CN上存在两个反应位点，一个位于CN端，另一个靠近C-F键。研究发现，CF3端进攻对CN的形成最不利。这些结果证实了CF3CN的2e和7a1分子轨道形状与取向不透明函数之间的关系。
• Kinetics of the CN+OCS reaction
  作者：Joonbum Park、John F. Hershberger

  DOI：10.1016/s0009-2614(98)00945-2

  日期：1998.10

  The CN+OCS reaction was studied using flash photolysis/time-resolved infrared laser spectroscopy. The reaction is fast, with a rate constant of (9.75±0.5)×10−11 cm3 molecule−1 s−1 at 296 K and 2.2 Torr pressure. Detection of CO products indicates that the CO+NCS product channel dominates this reaction, and that the CO is produced vibrationally cold, with >98% in the vibrational ground state.

  使用闪光光解/时间分辨红外激光光谱研究了CN + OCS反应。反应快速，在296 K和2.2 Torr压力下的速率常数为（9.75±0.5）×10 -11 cm 3分子-1 s -1。对CO产物的检测表明，CO + NCS产物通道主导了该反应，并且CO产生于振动冷态，在振动基态下> 98％。
• Rate constants for the reactions of CN with hydrocarbons at low and ultra-low temperatures
  作者：Ian R. Sims、Jean-Louis Queffelec、Daniel Travers、Bertrand R. Rowe、Lee B. Herbert、Joachim Karthäuser、Ian W.M. Smith

  DOI：10.1016/0009-2614(93)87091-g

  日期：1993.8

  providing rate constants for the reactions of CN with C2H6, C2H4 and C2H2 at temperatures down to 25 K. The rate constants for CN+C2H4 and CN+C2H2 increase monotonically as the temperature is lowered from room temperature to 44 K but the values at 25 K are lower than those at 44 K. Remarkably, the rate constant for CN+C2H6 increases below 75 K, reaching its largest value at 25 K. It is tentatively suggested

  脉冲激光光解（PLP），时间分辨激光诱导荧光（LIF）技术已用于研究CN自由基与CH 4，C 2 H 6，C 2 H 4，C 3 H 6和C 2 H 2在低温和超低温下。使用低温冷却池，已经确定了在低至160 K的温度下所有五个反应的速率常数。PLP-LIF方法也已在CRESU（超音速制服）中实现，该装置可为反应提供速率常数CN与C 2 H 6，C 2 H的关系4和C 2 H 2在低至25 K的温度下。随着温度从室温降低到44 K ，CN + C 2 H 4和CN + C 2 H 2的速率常数单调增加，但在25 K时的值常数为低于44 K时的速率。值得注意的是，CN + C 2 H 6的速率常数增加到75 K以下，在25 K时达到最大值。初步表明，这种行为可能反映了范德华激发态的瞬时形成有助于随后提取H原子的配合物。
• Reaction kinetics of the CN radical with methyl bromide
  作者：Michael Hodny、John F. Hershberger

  DOI：10.1016/j.cplett.2015.12.036

  日期：2016.2

  Abstract The kinetics of the CN + CH 3 Br reaction were studied using transient infrared laser absorption spectroscopy to detect CN reactants and HCN products. This reaction has a rate constant of k  = (2.20 ± 0.6) × 10 −12 exp (453 ± 98/ T ) cm 3  molecule −1  s −1 over the range 298–523 K. Hydrogen abstraction to produce HCN + CH 2 Br is only a minor reaction product, with a branching fraction of 0

  摘要 采用瞬态红外激光吸收光谱检测CN反应物和HCN产物，研究了CN + CH 3 Br反应的动力学。该反应的速率常数为 k = (2.20 ± 0.6) × 10 -12 exp (453 ± 98/ T ) cm 3 分子 -1 s -1 在 298–523 K 范围内。 提取氢生成 HCN + CH 2 Br 只是次要反应产物，支化分数为 0.12 ± 0.02。其他产品渠道，包括 BrCN + CH 3 、CH 2 CN + HBr、CH 3 CN + Br 是可能的。HBr 产率的上限为 0.01。这些结果与最近的从头计算定性一致。
• Photodissociation of HCN at 157 nm: Energy disposal in the CN(A 2Π) fragment
  作者：Jingzhong Guo、R. Eng、Tucker Carrington、S. V. Filseth

  DOI：10.1063/1.481504

  日期：2000.5.22

  Photodissociation of HCN at 157 nm was found to produce only H and CN(A 2Π) through analysis of laser-induced fluorescence experiments. The CN(A 2Π) vibrational populations decrease monotonically from v=0 to 3, represent 19±1% of the available energy and are in good agreement with a prior distribution of 9500 cm−1 of energy. The rotational distributions of the four vibrational levels are very similar

  通过对激光诱导荧光实验的分析，发现 HCN 在 157 nm 处的光解离仅产生 H 和 CN(A 2Π)。CN(A 2Π) 振动群体从 v=0 到 3 单调减少，代表可用能量的 19±1%​​，并且与 9500 cm-1 能量的先验分布非常一致。四个振动能级的旋转分布非常相似，占可用能量的 6.5%，近似于玻尔兹曼，温度接近 900 K。CN(A 2Π,v=0) 的旋转分布与几个高度简化的参考分布进行了比较并通过相空间计算找到近似一致。