deuterium isocyanide | 29877-82-5

• 英文名称: deuterium isocyanide
• 英文别名: hydrogen isocyanide；DN13C; D15NC; D15N13C；Deuterogen Isocyanid；Isocyandeuterium
• CAS: 29877-82-5
• 化学式: CHN
• 分子量: 28.0177
• InChiKey: QIUBLANJVAOHHY-VMNATFBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.65
• 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：
  23.8
• 氢给体数：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  氘氢氰酸 以 solid matrix 为溶剂， 生成 deuterium isocyanide
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 19.1, page 256 - 256

  摘要：

  DOI：

文献信息

• The rotational spectra of the ground and first excited bending states of deuterium isocyanide, DNC, up to 2THz
  作者：Sandra Brünken、Holger S.P. Müller、Sven Thorwirth、Frank Lewen、Gisbert Winnewisser

  DOI：10.1016/j.molstruc.2005.07.019

  日期：2006.1

  The pure rotational spectrum of deuterium isocyanide (DNC) was recorded in the frequency range from approximately 680 to 1985 GHz. Twenty-one new transitions in the vibrational ground and first excited bending states (01(ef) 0) have been assigned, namely R-branch transitions from J= 9 <- 8 to 25 <- 24. In a least squares analysis of these new transition frequencies together with previously reported millimeter-wave data, spectroscopic parameters up to sextic order could be derived with high precision for both states. Furthermore, the l-type doubling constant q and its centrifugal distortion terms q(J) and q(JJ) were obtained for the first excited bending state. (c) 2005 Elsevier B.V. All rights reserved.
• Millimeter and submillimeter wave spectroscopy of HNC and DNC in the vibrationally excited states
  作者：Toshiaki Okabayashi、Mitsutoshi Tanimoto

  DOI：10.1063/1.465135

  日期：1993.9

  The rotational transitions of hydrogen isocyanide (HNC) and deuterium isocyanide (DNC) in the vibrationally excited states as well as in the ground states were observed in the millimeter and submillimeter wave region. These compounds were generated in a dc glow discharge plasma containing hydrogen (or deuterium), nitrogen, and carbon atoms. The stretching vibrational modes, ν1 and ν3 states, were selectively excited in the discharge plasma; on the other hand, the bending mode ν2 state was thermally populated at the cell temperature. The precise rotational, centrifugal distortion and l-type doubling constants were obtained for all of the first vibrationally excited states as well as the ground states. The experimental equilibrium rotational constants Be are 45 496.7769(45) and 38 207.7217(105) MHz for HNC and DNC, respectively, where uncertainties correspond to one standard deviation. The equilibrium internuclear distances are also determined to be re (H–N)=0.996 0643(29) Å and re (N≡C)=1.168 3506(16) Å.  
• Spectroscopic Study of the Vacuum‐Ultraviolet Photolysis of Matrix‐Isolated HCN and Halogen Cyanides. Infrared Spectra of the Species CN and XNC
  作者：Dolphus E. Milligan、Marilyn E. Jacox

  DOI：10.1063/1.1711859

  日期：1967.7

  Vacuum-ultraviolet photolysis of HCN isolated in Ar and N2 matrices at 14°K is found to lead to the production of HNC in concentration sufficient for direct infrared observation of all three vibrational fundamentals. The spectrum of this species is found to be appreciably perturbed by the presence of N2. The force constants and thermodynamic properties of HNC have been revised to the values appropriate to this species in an environment free of perturbation by an adjacent N2 molecule. The free radical CN is also produced in these systems in concentration sufficient for direct observation not only of the B(2Σ+)—X(2Σ+) transition but also of the ground-state vibrational fundamental. Isotopic data supporting this identification are presented. Upon vacuum-ultraviolet photolysis of matrix-isolated FCN, two infrared absorptions appear which can be identified with the stretching fundamentals of the species FNC. In analogous experiments on the species ClCN and BrCN, infrared absorptions tentatively assigned to ClNC and BrNC have been observed.