calcium amide | 84573-62-6

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: calcium amide
• CAS: 84573-62-6
• 化学式: CaH₂N
• 分子量: 56.1006
• InChiKey: VQWWKYLNRCKQRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  2.0
• 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：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  氨 、 calcium 以 gaseous matrix 为溶剂， 生成 calcium amide
  参考文献：
  名称：

  High-resolution visible laser spectroscopy of the B̃ 2B1–X̃ 2A1 transition of CaNH2

  摘要：

  The 000B̃ 2B1–X̃ 2A1 band of CaNH2 has been recorded at high resolution with a laser ablation molecular beam spectrometer. This B̃ 2B1 state is the last of the low-lying electronic states of CaNH2 to be characterized. The pure precession model, which has previously been used to describe the spin-rotation interactions in this family of molecules was used to interpret and correctly assign the spectrum. The detailed analysis of the high resolution spectrum and energy level structure of the B̃ 2B1 state is presented.

  DOI：

  10.1063/1.476336

文献信息

• Chemiluminescent reactions of alkaline-earth metals with water and hydrazine
  作者：Richard F. Wormsbecher、Mitchell Trkula、Cecilia Martner、Robert E. Penn、David O. Harris

  DOI：10.1016/0022-2852(83)90335-1

  日期：1983.1

  low-pressure chemiluminescent reactions of the metal atom vapors with a hydrazine oxidant. The monoamide chemiluminescence spectra are assigned by comparison with those of the isoelectronic alkaline-earth monohydroxides and monofluorides, formed with water and sulfur hexafluoride oxidants. These comparisons also allow the amide's position in the spectrochemical series for monovalent alkaline-earth compounds

  摘要 作为金属原子蒸气与肼氧化剂的低压化学发光反应的产物，首次观察到钙、锶和钡的单酰胺。单酰胺化学发光光谱是通过与水和六氟化硫氧化剂形成的等电子碱土单氢氧化物和单氟化物的光谱进行比较来确定的。这些比较还允许确定酰胺在单价碱土化合物的光谱化学系列中的位置如下：F-> OH-> NH2-> Cl-> Br-> I-。讨论了反应的动力学方面以及通过类似的气相反应生成和研究其他多原子碱土化合物的前景。
• Laser spectroscopy of strontium and calcium monoalkylamides
  作者：A. M. R. P. Bopegedera、C. R. Brazier、P. F. Bernath

  DOI：10.1021/j100295a026

  日期：1987.5
• A study of the <i>A</i>̃ ²<i>B</i>₂–<i>X</i>̃ ²<i>A</i>₁ band system of CaNH₂ employing molecular beam optical Stark spectroscopy
  作者：A. J. Marr、M. Tanimoto、D. Goodridge、T. C. Steimle

  DOI：10.1063/1.470635

  日期：1995.9.15

  The 000 Ã 2B2–X̃ 2A1 visible band system of a supersonic molecular beam sample of calcium amide, CaNH2, recorded in the presence of a variable static electric field has been studied using high resolution laser induced fluorescence spectroscopy. The determined spectroscopic parameters are (in cm−1), origin=15 464.366 9(8); A″=13.057 4(9); B″=0.300 47(5); C″=0.292 88(5); εbb″=0.001 1(3); εcc″=0.001 1(3); A′=11.448 7(2); B′=0.307 1(1); C′=0.299 2(1); εaa′=8.238(2); εbb′=0.005 2(6); εcc′=0.055 7(6); Δsk=−0.060 8(5). The rotational parameters are interpreted to give an approximate r0 structure. The large spin-rotation parameter for the Ã 2B2 state is discussed in terms of a second order spin–orbit interaction with other low-lying electronic states. Stark splitting of the PP11(1.5)+PQ12(0.5) branch feature was analyzed to produce a ground state permanent electric dipole moment, μ″, of 1.74(1) D. A comparison of μ″ with other monovalent calcium compounds is given.
• A high-resolution analysis of the C̃ 2A1–X̃ 2A1 transition of CaNH2: Pure precession in polyatomic molecules
  作者：Zulfikar Morbi、Chunfeng Zhao、Peter F. Bernath

  DOI：10.1063/1.473535

  日期：1997.3.22

  The high resolution spectrum of the 000 vibronic band of the C̃ A12–X̃ A12 transition of CaNH2 was recorded with a laser ablation/supersonic molecular beam spectrometer. Approximately 140 lines of the Ka′=0←Ka″=0 and the Ka′=1←Ka″=1 sub–bands were measured and combined with the previous Ã B22–X̃ A12 and B̃ B12–X̃ A12 results. A global fit of the data was carried out and the effective spectroscopic constants for the X̃, Ã, B̃, C̃ states are reported. A complete set of spin–rotation constants (εαα’s) are now available for the Ã B22, B̃ B12 and C̃ 2A1 states. The unpaired electron in these three excited states can be considered to be located in three p–orbitals (px,py,pz) centered on the metal atom. The simple pure precession model provides estimates for the 9 spin–rotation parameters in the Ã, B̃, and C̃ states.