calcium monocyanide | 60448-22-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: calcium monocyanide
• CAS: 60448-22-8
• 化学式: CCaN
• 分子量: 66.0957
• InChiKey: GSWCPZCFMKGRDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  乙腈 、 calcium 以 gas 为溶剂， 生成 calcium monocyanide
  参考文献：
  名称：

  Laser spectroscopy of CaNC and SrNC

  摘要：

  DOI：

  10.1016/0009-2614(90)85337-c

文献信息

• Chemiluminescence study of the Ca(1D) + BrCN reaction: Estimate of the CaCN dissociation energy
  作者：Nick Furio、Paul J. Dagdigian

  DOI：10.1016/0009-2614(85)85148-4

  日期：1985.4

  Chemiluminescence resulting from the reaction of Ca(1D) + BrCN under single-collision conditions has been observed. The spectra show the major chemiluminescence channel to be the formation of the excited calcium monocyanide. From the short-wavelength cutoff of the chemiluminescence spectrum, a lower bound of 3.91 ± 0.05 eV is placed on D00(CaCN). An absolute chemiluminescence cross section of 19.0

  已观察到在单碰撞条件下Ca（1 D）+ BrCN反应产生的化学发光。光谱表明主要的化学发光通道是激发的单氰化钙的形成。根据化学发光光谱的短波截止，将一个下限3.91±0.05 eV置于D 0 0（CaCN）上。的19.0±1.0埃的绝对化学发光的横截面2，已经发现上述反应。
• Observation and spectroscopy of metallic free radicals produced by reactive collisions during a supersonic expansion
  作者：C. J. Whitham、B. Soep、J‐P. Visticot、A. Keller

  DOI：10.1063/1.459126

  日期：1990.7.15

  Using the techniques of laser vaporization, supersonic jet, and laser-induced fluorescence spectroscopy, we have studied a number of small calcium containing free radicals, formed by the reaction of calcium atoms with the appropriate precursor molecule. We present spectra for CaCCH (from HCCH), CaNH2 (from NH3 ), and CaCN (from CH3CN ) in the region of the first electronically excited states. The cooling achieved in the jet has revealed structure hidden in previous high temperature studies. In the case of CaCN, we report the first rotationally resolved spectra of this molecule.
• The pure rotational spectrum of CaNC
  作者：C. T. Scurlock、T. C. Steimle、R. D. Suenram、F. J. Lovas

  DOI：10.1063/1.466391

  日期：1994.3

  The pure rotational spectrum of calcium isocyanide, CaNC, in its (0,0,0) X 2Σ+ vibronic state was measured using a combination of Fourier transform microwave (FTMW) and pump/probe microwave-optical double resonance (PPMODR) spectroscopy. Gaseous CaNC was generated using a laser ablation/supersonic expansion source. The determined spectroscopic parameters are (in MHz), B=4048.754 332 (29); γ=18.055 06 (23); bF=12.481 49 (93); c=2.0735 (14); and eQq0=−2.6974 (11). The hyperfine parameters are qualitatively interpreted in terms of a plausible molecular orbital descriptions and a comparison with the alkaline earth monohalides and the alkali monocyanides is given.