deuterofulminic acid

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: deuterofulminic acid
• 英文别名: deuteriofulminic acid；deuterated Sulminic acid；Deuterofulminsaeure；Fulminsaeure-d(1)；Knallsaeure-d(1)；D-Fulminsaeure；Deuterioformonitrile oxide
• 化学式: CHNO
• 分子量: 44.0171
• InChiKey: UXKUODQYLDZXDL-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  雷酸 以 氘代甲醇-d 为溶剂， 生成 deuterofulminic acid
  参考文献：
  名称：

  High resolution FIR spectra of DCNO and HCNO

  摘要：

  With a new method it was possible to generate DCNO in amounts practical for high resolution spectroscopy. DCNO is spectroscopically the most interesting isotopically substituted species of the quasilinear molecule fulminic acid, HCNO. Both DCNO and the parent isotopomer were reinvestigated in the far infrared region. The rovibrational spectra were recorded with a Bruker IFS 120 HR interferometer with resolutions (1/MOPD) between 0.0017 and 0.0028 cm(-1). The nu(5) fundamental and many hot bands of both isotopomers could be assigned. The spectral lines were weighted according to their signal-to-noise ratio for use in subsequent fitting procedures. Spectroscopic parameters of an effective Hamiltonian for linear molecules were adjusted for the vibrational states (nu(1)nu(2)nu(3)nu(4)nu(5)) = (00000), (00001), (00002), (00003), (00004) of DCNO and (nu(1)nu(2)nu(3)nu(4)nu(5)) = (00000), (00001), (00002), (00011), (00010), (00003) of HCNO. The search for the nu(4) fundamental of DCNO was not yet successful. The now well known Coriolis resonance between the states (00002) and (00010) seen in HCNO does not effect the spectrum of DCNO. However, a new resonance was observed in DCNO between the levels with l = 0 and 2 of the (00001) state and the two pairs of levels with l = 1 of the (00012) state. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(99)00260-4

文献信息

• Infrared spectra and isomerization of CHNO species in rare gas matrices
  作者：V.E. Bondybey、J.H. English、C.Weldon Mathews、R.J. Contolini

  DOI：10.1016/0022-2852(82)90113-8

  日期：1982.4

  Abstract Infrared and uv absorption spectra of the CHNO isomers in rare gas matrices and their photolysis products by ultraviolet light were studied. The most efficient processes occurring in the matrix involve isomerization between the CHNO species. The NCO free radical is the only fragment appearing in the ir spectrum. The diatomic fragments CN, NH, and OH are also observable in the uv spectrum of

  摘要 研究了稀有气体基质中CHNO 异构体及其光解产物的红外和紫外吸收光谱。在基质中发生的最有效过程涉及 CHNO 物种之间的异构化。NCO 自由基是红外光谱中唯一出现的碎片。在光解样品的紫外光谱中也可以观察到双原子碎片 CN、NH 和 OH。
• Bodenseh, H. K.; Winnewisser, M., Zeitschrift fur Naturforschung, 1969, vol. 24a, p. 1973 - 1979
  作者：Bodenseh, H. K.、Winnewisser, M.

  DOI：——

  日期：——
• Infrared spectra of DCNO: Rotational analysis of the ν1 band
  作者：W.David Sheasley、C.Weldon Mathews、Eugene L. Ferretti、K. Narahari Rao

  DOI：10.1016/0022-2852(71)90309-2

  日期：1971.2
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 30.1.3, page 302 - 302
  作者：

  DOI：——

  日期：——