| 391200-26-3

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• CAS: 391200-26-3
• 化学式: CAlN
• 分子量: 53.9925
• InChiKey: CKCHLXHSTBAWQP-CGOMOMTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  3.0
• 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：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  氮气-15N2 、 三甲基铝 以 gaseous matrix 为溶剂， 生成 、
  参考文献：
  名称：

  Laser fluorescence excitation spectra of the AlNC and AlCN isomers

  摘要：

  A new molecular electronic band system has been observed by laser fluorescence excitation in a free-jet supersonic expansion of photolyzed trimethylaluminum diluted in seed gases containing molecular nitrogen. The overwhelming majority of observed bands displayed the rotational structure of a Π1←Σ1 transition. The change in the rotational constant B″ of a band at 36 389 cm−1, assigned as the origin band, upon N15 substitution was consistent with the assignment of the molecular carrier as AlNC, and the value of B″ for the Al14NC(X̃ 1Σ+) isotopomer agreed with that previously determined by pure rotational spectroscopy. To carry out a vibrational assignment, resolved emission spectra were recorded for excitation of the ten strongest bands. With one exception, all these bands were found to involve excitation out of the ground vibronic level. Vibrational quantum numbers for the upper levels were assigned for most bands, and the upper state appears to be linear, with Π1 symmetry. A band at 28 754 cm−1, assigned to AlNC by Fukushima [Chem. Phys. Lett. 283, 337 (1998)], was also investigated. The lower-state vibrational spacings in its resolved emission spectrum were different than for the bands discussed above. Based on the rotational constants determined in a rotational analysis of this band, the molecular carrier of this transition is assigned as the isomer AlCN.

  DOI：

  10.1063/1.478097