deuterio-isocyanic acid | 10357-59-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: deuterio-isocyanic acid
• 英文别名: isocyanic acid；Deuterio-isocyansaeure；Deutero-isocyansaeure；Deuteroisocyansaeure；Deutero-cyansaeure；Isocyansaeure-d1
• CAS: 10357-59-2
• 化学式: CHNO
• 分子量: 44.0171
• InChiKey: OWIKHYCFFJSOEH-DYCDLGHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 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：
  40.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  deuterio-isocyanic acid 以 solid matrix 为溶剂， 生成 cyanic acid
  参考文献：
  名称：

  Low‐Temperature Infrared Study of Intermediates in the Photolysis of HNCO and DNCO

  摘要：

  HNCO and DNCO suspended in Ar and in N2 matrices at 4° and at 20°K are shown to yield upon photolysis the corresponding tautomers, HOCN and DOCN, for which vibrational assignments are proposed. HOCN may be produced by recombination at the O atom of H+NCO produced in a primary photolytic rupture of the N–H bond, as well as by the attack of NH (3Σ—) on the carbon—oxygen bond of CO, giving an unstable cyclic intermediate.

  DOI：

  10.1063/1.1725546
• 作为产物：
  描述：

  以 not given 为溶剂， 生成 deuterio-isocyanic acid
  参考文献：
  名称：

  Heineking, N.; Gerry, M. C. L.; Dreizler, H., Zeitschrift fur Naturforschung - Teil A Physik, Physikalische Chemie, Kosmophysik, 1989, vol. 44, p. 577 - 579

  摘要：

  DOI：

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。
• The millimeter wave spectra of isocyanic and isothiocyanic acids
  作者：Roger Kewley、K.V.L.N. Sastry、Manfred Winnewisser

  DOI：10.1016/0022-2852(63)90188-7

  日期：1963.1

  Abstract An investigation of the mm-wave rotational spectra of the very slightly asymmetric tops HNCS, DNCS, HNCO and DNCO has been carried out in the frequency range 80 000–190 000 Mc/sec. Several R -branch, a -type, transitions were observed for each molecule and the rotational constants A 0 , B 0 , and C 0 were determined for the four species containing the most abundant isotopes of N, C, O, or

  摘要 在 80 000–190 000 Mc/sec 的频率范围内对非常轻微不对称的顶部 HNCS、DNCS、HNCO 和 DNCO 的毫米波旋转光谱进行了研究。观察到每个分子的几个 R 分支、a 型跃迁，并确定了含有最丰富的 N、C、O 或 S 同位素的四种物质的旋转常数 A 0 、B 0 和 C 0。 HNCS 34 也发现了 0 和 C 0 。获得每种丰富形式的离心畸变常数 DJ。常数为 HNCS：A 0 = 1 483 000 ± 167 000 Mc/sec，B 0 = 5883.42 ± 0.02 Mc/sec，C 0 = 5845.62 ± 0.02 Mc/sec，D j = 1.17 ± 0.05 Kc/sec；DNCS：A 0 = 723 400 ± 25 000 Mc/sec，B 0 = 5500.51 ± 0.05 Mc/sec，C 0 = 5445.26 ± 0.05
• Matrix infrared studies of the hydrogen cyanide + ozone and hydrogen cyanide + oxygen atom systems
  作者：Zofia. Mielke、Lester. Andrews

  DOI：10.1021/j100372a030

  日期：1990.5
• Bodenseh, H. K.; Winnewisser, M., Zeitschrift fur Naturforschung, 1969, vol. 24a, p. 1973 - 1979
  作者：Bodenseh, H. K.、Winnewisser, M.

  DOI：——

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

  DOI：——

  日期：——