hydrazoic acid | 14989-19-6

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属有机物
• 英文名称: hydrazoic acid
• CAS: 14989-19-6
• 化学式: HN₃
• 分子量: 44.0201
• InChiKey: JUINSXZKUKVTMD-DYCDLGHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 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：
  25.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  hydrazoic acid 以 neat (no solvent) 为溶剂， 生成 imidogen
  参考文献：
  名称：

  The Four Isotopomer Reactions of NH(a) and ND(a) with NH₃(X̃) and ND₃(X̃)

  摘要：

  摘要：在室温和10到20mbar的压力下，在He作为主要载气体的条件下，通过激光闪光光解HN3和DN3生成电子激发态反应物NH(a)和ND(a)，并通过激光诱导荧光(LIF)进行检测。同时，通过LIF检测到了NH(X)和ND(X)作为产物的基态物种。 通过伪一级条件下测量的NH(a)和ND(a)浓度-时间曲线，得到了以下速率常数： k1 = (9.1 ± 0.9) × 10^13 cm^3mol^-1s^-1 k2 = (9.6 ± 1.0) × 10^13 cm^3mol^-1s^-1 k3 = (8.0 ± 1.0) × 10^13 cm^3mol^-1s^-1 k4 = (7.2 ± 0.8) × 10^13 cm^3mol^-1s^-1. 主要产物是相应的NH_iD_2−_i(X̃)自由基(i = 0, 1, 2)，而NH(a) + ND3 → NH(X) + ND3等猝灭过程的重要性较小(1%)。同位素交换NH(a) + ND3 → ND(X) + NHD2可以忽略不计，而在单线态表面NH(a) + ND3(X̃) → ND(a) + NHD2(X̃)通道对整体NH(a)耗尽的贡献为1%。实验结果通过统计速率理论讨论了化学活化机制。

  DOI：

  10.1524/zpch.218.4.439.29201
• 作为产物：
  描述：

  [D₁]-stearic acid 在 sodium azide 作用下， 生成 hydrazoic acid
  参考文献：
  名称：

  碰撞引起的亚胺（a1.delta。，v''= 0，1）与氮和氙的系统间交叉：温度依赖性（氮）和产物状态（氮，氙）

  摘要：

  The elementary reactions of NH(a(1)DELTA,upsilon" = 0,1) with N2 and Xe have been studied in the gas phase. NH(a,upsilon") was produced by laser photolysis of HN3 at lambda(L) = 248 nm and lambda(L) = 308 nm and detected directly by laser-induced fluorescence (LIF) via the (c(1)PI-a(1)DELTA) transition. Time resolution is based on the delay between the photolysis and the probe laser. The reaction rates were determined under pseudo-first-order conditions ([N2] >> [NH(a,upsilon")]0), at different temperatures in the range 290 less-than-or-equal-to T/K less-than-or-equal-to 515. The temperature dependence of the reaction rates, described by an Arrhenius expression, are given by the following: NH(a,upsilon" = 0) + N2 --> products (1),k1 = (3.9 +/- 1.2) x 10(11) exp(-(5.4 +/- 1.2) kJ mol-1/RT) cm3/(mol s); NH(a,upsilon" = 1) + N2 --> products (2),k2 = (8.6 +/- 2.7) x 10(11) exp(-(4.4 +/- 2.3) kJ mol-1/RT) cm3/(mol s); ND(a,upsilon" = 0) + N2 --> products (3),k3 = (4.7 +/- 1.7) x 10(11) exp(-(5.2 +/- 1.1) kJ mol-1/RT) cm3/(mol s). The NH(X,upsilon), which appeared as the product of physical quenching, was detected by LIF with the transition (A(3)PI-X(3)SIGMA-). In the reactions 1, 2, and 3 NH(X) and ND(X), respectively, were formed only in the vibrational ground state. The rate constant for the process NH(a,upsilon") = 1) + Xe --> products (5) was determined to be k5 = (7.7 +/- 0.9) x 10(12) cm3/(mol s). In the physical quenching of NH(a,upsilon") (produced at lambda(L) = 248 nm) by Xe vibrationally excited NH in the electronic ground state NH(X,upsilon = 0,1,2) was detected. NH(a,upsilon" = 0) (produced a lambda(L) = 308 nm) was quenched to NH(X,upsilon = 0). The different quenching dynamics of NH(a,upsilon") by N2 and Xe are discussed.

  DOI：

  10.1021/j100180a013

文献信息

• Resonance-enhanced multiphoton ionisation spectroscopy of the NH(ND) radical. Part 1—The d¹Σ⁺state
  作者：Michael N. R. Ashfold、Simon G. Clement、Jonathan D. Howe、Colin M. Western

  DOI：10.1039/ft9918702515

  日期：——

  observed when MPI occurs via a select subset of the d–a resonances. Parallels between the ionisation behaviour found in this present investigation and that seen in previous studies of two-photon resonant MPI of b 1Σ+ state PH(PD) radicals suggest the need for a reassignment of the resonance-enhancing excited state of PH(PD).

  该d 1 Σ +状态，先前在发射标识，被确认为是负责双光子共振增强的的MPI光谱的状态1个在约285纳米的激发波长Δ状态imidogen自由基。我们提出了这种激发态的键离解能的第一个可靠估计。观察到通过d状态的双光子共振MPI产生母体NH +（ND +）和原子N +和H +（D +）离子。考虑了三种可能的碎片离子形成机理。四光子电离倍增共振，首先（以双光子能量）达d级1 Σ +通过autoionising会聚到一个或多个的激发电离限制里德伯系列的成员状态，然后（在三光子能量），被认为是最能够解释实质上增强式n +离子的产率观察到当MPI发生经由d–a共振的选择子集。电离行为之间的相似之处在目前这个调查中发现，在b的双光子共振MPI以前的研究，看到1 Σ +状态PH（PD）自由基建议的共振增强PH的激发态（PD的重新分配的需要）。
• Photodissociation Dynamics of HN₃ and DN₃ at 157 nm
  作者：Kaijun Yuan、Yuan Cheng、Fengyan Wang、Xueming Yang

  DOI：10.1021/jp800062t

  日期：2008.6.1

  Photodissociation dynamics of HN 3 at 157.6 nm have been studied using the H-atom Rydberg tagging time-of-flight technique. Product translational energy distributions and angular distributions have been measured. From these distributions, three H-atom channels are observed. The vibrational structure in the fast-H channel could be assigned to a progression in the N 3 symmetric stretching mode (nu 100)

  使用H原子Rydberg标记飞行时间技术研究了HN 3在157.6 nm处的光解动力学。已经测量了产物平移能量分布和角度分布。从这些分布中，观察到三个H原子通道。可以将快速H通道中的振动结构分配给N 3对称拉伸模式（nu 100）中的进程，以及对称拉伸模式具有一个弯曲运动量（nu 110）的进程。慢H通道的宽平移能量分布在能量上与循环N 3形成过程或三重产物解离通道一致。DN 3的光解离也使用相同的技术进行了研究。已经观察到同位素对产物平移能分布的影响，
• Milligan, D. E.; Jacox, M. E., Journal of Chemical Physics, 1962, vol. 37, p. 2302 - 2310
  作者：Milligan, D. E.、Jacox, M. E.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C2, 3.7.5.3, page 200 - 200
  作者：

  DOI：——

  日期：——
• Vuv photolysis of hydrazoic acid: Absorption and fluorescence excitation spectra
  作者：G. Schönnenbeck、H. Biehl、F. Stuhl、U. Meier、V. Staemmler

  DOI：10.1063/1.476789

  日期：1998.8.8

  The vuv-absorption of the HN3/DN3 isotopomers and the formation of NH/ND photofragments in the (c 1Π) and (A 3Π) states were studied. Tunable synchrotron radiation and several atomic resonance lines were used as light sources. The absorption spectrum, which shows more features than reported earlier, was analyzed by means of extensive quantum chemical ab initio calculations. The internal energies of the observed NH/ND(c,A) photofragments were estimated as a function of the photolysis wavelength by emission spectroscopy. The fragment NH/ND(c) is formed with a rather constant quantum yield below 147 nm, while the relative production yield of NH/ND(A) increases with decreasing wavelength. Although NH/ND(A) can be formed directly via a spin forbidden process at long wavelengths, it is more efficiently produced by reactions of the three different triplet N2(A,B,B′) states with HN3/DN3. The variation of the vibrational distribution of the NH/ND(A) radicals indicates that various production mechanisms exist.