cyanogen | 2742-25-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cyanogen
• 英文别名: Dicyan；(¹⁵N2)-Cyanogen；<15N>-Dicyan；[1,2-¹⁵N]oxalonitrile
• CAS: 2742-25-8
• 化学式: C₂N₂
• 分子量: 54.022
• InChiKey: JMANVNJQNLATNU-CQDYUVAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.58
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  silver cyanide 生成 Blausaeure 、 cyanogen
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 4.3.4, page 47 - 50

  摘要：

  DOI：

文献信息

• The rotational spectrum, ¹⁴N‐nuclear quadrupole coupling constants, and H,¹⁹F nuclear spin–nuclear spin coupling constant of the cyanogen–hydrogen fluoride dimer
  作者：A. C. Legon、P. D. Soper、W. H. Flygare

  DOI：10.1063/1.441746

  日期：1981.5

  The microwave rotational spectra of four isotopic species of a linear dimer NCCN⋅⋅⋅HF formed between cyanogen and hydrogen fluoride have been observed and analyzed to give vibrational gound state rotational constants B0, centrifugal distortion constants DJ, the 14N-nuclear quadrupole coupling constants χ(1) and χ(2), and the H, 19F nuclear spin–nuclear spin coupling constants SHF as follows:                             It is shown that χ(1)−χ(2), which is necessarily zero in free cyanogen, arises from electrical changes rather than zero-point vibrational changes that accompany dimer formation. The part of this quantity assigned to polarization of cyanogen by hydrogen fluoride is interpreted on the basis of the Townes–Dailey model in terms of a transfer of ∼0.02e from N(1) to N(2) when HF approaches the latter atom along the molecular symmetry axis to form the dimer.
• Investigations on doubly nitrogen-15 labeled isocyanogen (CNCN)
  作者：Simon J. Goede、Frans J. J. De Kanter、Friedrich Bickelhaupt

  DOI：10.1021/ja00016a027

  日期：1991.7

  The doubly nitrogen-15 labeled isotopomer CN-15CN-15 of isocyanogen (CNCN) has been prepared by a known route in three steps from [N-15(2)]hydrazine sulfate and quadricyclanone. The chemical reactivity of CN-15CN-15 has been explored. Most of the typical isonitrile reactions are too slow to compete with the polymerization of isocyanogen which starts as low as -80-degrees-C; defined products were only obtained on bromination to Br2CNCN (7) and on FVT at 750-degrees-C to give partial conversion to cyanogen (NCCN). The N-15 and C-13 NMR spectra of 1, 4, CN-15CN-15, N-15CCN-15, and [N-15(2)]7 are discussed; important aspects are the previously "missing" cyano group in CNCN which has now been identified and an unusually large C-13-N-15 coupling (1J = 48.9 Hz) in the central bond of isocyanogen.
• Infrared Spectrum of Cyanogen‐¹⁵N₂ and Intermolecular Coupling in the Crystal
  作者：Eugene R. Nixon、Frank D. Verderame

  DOI：10.1063/1.1726145

  日期：1964.9.15

  The infrared spectrum of cyanogen-15N2 is reported for the gas at room temperature and for the polycrystalline film at 80°K over the range 500–4000 cm—1. Davydov splittings in the ν3 fundamental are discussed in terms of 6–12 intermolecular potentials and also in terms of the intermolecular coupling of mutually polarizable dipoles. Calculated splittings and intensities are given for various assumed crystallite sizes and shapes.