aminotetrazine argon | 140242-35-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四嗪
• 英文名称: aminotetrazine argon
• CAS: 140242-35-9
• 化学式: Ar*C₂H₃N₅
• 分子量: 137.027
• InChiKey: DFUFAGRRNQGLRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.15
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.58
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  氩 、 1,2,4,5-四嗪-3-胺 以 neat (no solvent, gas phase) 为溶剂， 生成 aminotetrazine argon 、 3-amino-s-tetrazine*Ar6
  参考文献：
  名称：

  The electronic spectroscopy and structure of complexes of argon with 3‐amino‐s‐tetrazine in a supersonic jet

  摘要：

  The structure and spectroscopy of van der Waals clusters between argon and 3-amino-s-tetrazine (AT) has been investigated in a supersonic jet. Low resolution vibrationally resolved fluorescence excitation spectra of AT at a variety of argon gas concentrations enable us to assign the origin transitions for the clusters AT–Arn, where n=1 through 6. The frequencies of the van der Waals vibrational modes of these clusters are determined, both in the excited states from the excitation spectra, and in the ground state from single vibronic level emission spectra. High resolution spectroscopy is used to resolve rotational structure in the origin transitions of some of the clusters, and this provides structural information about the clusters. The argon atom in AT-Ar is found to be above the tetrazine ring, and the argon atoms in AT–Ar2 are found to be above and below the tetrazine ring, in all cases having a van der Waals bond length of about 3.3 Å. This work is useful in interpreting the results of our previous study on the photodissociation dynamics of van der Waals clusters between argon and AT.

  DOI：

  10.1063/1.459939

文献信息

• Aminotetrazine–argon, the world's smallest ‘large gas-phase cluster’
  作者：Joseph C. Alfano、Selso J. Martinez、Donald H. Levy

  DOI：10.1039/ft9908602503

  日期：——

  dynamics of the complexes aminotetrazine–Ar and aminotetrazine–Ar2 have been studied using supersonic jet spectroscopy. The lowest excited electronic state of aminotetrazine was found to have a much longer fluorescence lifetime (154 ns in the vibrationless level) than tetrazine (0.9 ns), and the photodissociation reaction could be followed for a much longer time than was the case with tetrazine. It

  使用超声波喷射光谱研究了氨基四嗪-Ar和氨基四嗪-Ar 2配合物的光解动力学。发现氨基四嗪的最低激发电子态具有比四嗪（0.9 ns）更长的荧光寿命（无振动水平为154 ns），并且光解离反应的时间可以比四嗪更长。已经发现，光解离速率根据初始激发的振动状态而显着变化。在U o + 446 cm –1处激发氨基四嗪-Ar 16b 2的水平在荧光寿命期间产生了完全的离解，而在6a 1的激发下U o + 606 cm –1处的水平面几乎不产生任何离解。因此，这种简单的复合物可以在不离解的情况下将大量多余的能量存储超过一微秒。复合氨基四嗪-Ar 2的光解离速率也强烈取决于初始激发态。此外，氨基四嗪-Ar和游离氨基四嗪光产物之间的氨基四嗪-Ar 2的解离产物支化率也因州而异。