pyrimidine * argon | 190078-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: pyrimidine * argon
• 英文别名: Argon;pyrimidine
• CAS: 190078-33-2
• 化学式: Ar*C₄H₄N₂
• 分子量: 120.037
• InChiKey: VTTAYGIVZHTSRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.48
• 重原子数：
  7.0
• 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：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  嘧啶 、 氩 以 gas 为溶剂， 生成 pyrimidine * argon
  参考文献：
  名称：

  嘧啶电子激发范德华配合物的振动预离解和非辐射过程

  摘要：

  DOI：

  10.1021/j100262a018

文献信息

• Dissociation dynamics of the electronically excited pyrimidine-argon van der Waals complex as revealed by two-color photoionization spectroscopy
  作者：Naohiko Mikami、Yoshiyuki Sugahara、Mitsuo Ito

  DOI：10.1021/j100401a021

  日期：1986.5
• An investigation of the quadrupole coupling of two N nuclei in the complex pyrimidine–Ar by molecular beam Fourier transform microwave spectroscopy
  作者：A Maris、J.C López、J.L Alonso、W Caminati

  DOI：10.1016/s0022-2860(02)00148-5

  日期：2002.7

  The quadrupole coupling hyperfine structure of two equivalent N-14 nuclei in the rotational spectrum of pyrimidine-Ar complex has been investigated in the range of 6-18 GHz using molecular beam Fourier transform microwave spectroscopy. From the analysis of the hyperfine structure the elements chi(aa), chi(bb), chi(cc), and chi(bc), of the quadrupole coupling tensors in the principal inertial axis system of the complex have been determined. A comparison of the quadrupole constants of the complex with those of bare pyrimidine indicates that these constants are consistent with the structure of the complex previously reported, with the Ar atom tilted ca. 5degrees towards the two N atoms. This configuration is supported by ab initio calculations. (C) 2002 Elsevier Science B.V. All rights reserved.