azide radical | 12596-60-0

• 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: azide radical
• 英文别名: azidyl radical；azidyl；azide；Azido
• CAS: 12596-60-0
• 化学式: N₃
• 分子量: 42.0201
• InChiKey: DUAJIKVIRGATIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  azide radical 以 gas 为溶剂， 生成 氮气
  参考文献：
  名称：

  Photodissociation dynamics of the N₃radical

  摘要：

  The dissociation dynamics of the B̃ 2Σu+ state of N3 were investigated using fast radical beam photodissociation coupled with a new coincidence wedge-and-strip-anode particle detector. With this detector, detailed photofragment kinetic energy and angular distributions can be measured as a function of excitation energy. Calibration of the detector by studies of the predissociation of the O2 B 3Σu− state is discussed. Methods of extracting the center-of-mass kinetic energy and angular distributions are presented. The photodissociation results for N3 show that from the vibrationless level of the B̃ 2Σu+ state in N3, both spin-allowed [N3→N(2D)+N2(1Σg+)] and spin-forbidden [N3→N(4S)+N2(1Σg+)] dissociation processes occur. Bend excitation in the B̃ 2Σu+ state, however, enhances the spin-allowed dissociation process considerably. The kinetic energy distributions reveal partially resolved vibrational structure in the N2 fragment, and indicate substantial rotational excitation of the N2. This implies that bent geometries play a major role in the dissociation of the N3 B̃ state. Possible mechanisms for the spin-forbidden and spin-allowed dissociation channels are discussed.

  DOI：

  10.1063/1.465224
• 作为产物：
  描述：

  azido(tetraphenylporphyrinato)oxomolybdenum(V) 以 苯 为溶剂， 以10%的产率得到azide radical
  参考文献：
  名称：

  Rehorek, Detlef; Berthold, Thomas; Hennig, Horst, Zeitschrift fur Chemie, 1988, vol. 28, p. 72 - 73

  摘要：

  DOI：
• 作为试剂：
  描述：

  (R)-2-((S)-4-Amino-4-carboxy-butyrylamino)-2-(carboxymethyl-carbamoyl)-ethanethiol anion 在 azide radical 作用下， 以 水 为溶剂， 生成 glutathione radical
  参考文献：
  名称：

  Kinetics of One-Electron Oxidation of Thiols and Hydrogen Abstraction by Thiyl Radicals from .alpha.-Amino C-H Bonds

  摘要：

  One-electron oxidation of cysteine, homocysteine, and glutathione by azide radical in alkaline solution (pH 10.5), where both the amino and the SH groups are deprotonated, has been investigated by pulse radiolysis. Reducing alpha-aminoalkyl radicals ((.)CR), which are formed via intramolecular rearrangement of thiyl radicals, were detected using methylviologen as oxidant in the kinetic analysis. The general scheme of the reactions is sketched. Thiyl radicals either equilibrate with RSSR(.-) in reaction 5, RS(.) + RS(-) = RSSR(.-), or undergo intramolecular transformation via equilibrium 6, RS(.) = (.)CR. At pH 10.5, equilibrium 6 is completely shifted to the right, resulting in alpha-aminoalkyl radical formation. The rate constants in the reaction scheme for cysteine, homocysteine, and glutathione were measured. With the rate constants obtained, the decay kinetics of RSSR(.-) into (.)CR was simulated, and it agreed with that measured at 420 nm. At pH 10.5, the first-order rate constants for the transformation (k(6)) were determined to be 2.5 x 10(4), 1.8 x 10(5) and 2.2 x 10(5) s(-1) for cysteine, homocysteine, and glutathione, respectively. The rate constants for intermolecular hydrogen abstraction by thiyl radicals from alpha-amino C-H bonds of alanine and glycine were determined at the same pH to be 7.7 x 10(5) and 3.2 x 10(5) M(-1) s(-1), respectively. Thermodynamic estimation places the reduction potential E degrees(H2NC(CO2-)CH3)(.), H+/H2NCH(CO2-)CH3) at ca. 1.22 V, which implies a rather weak tertiary C-H bond in the anion of alpha-amino acids. Thus, an intramolecular hydrogen abstraction mechanism for the transformation of thiyl radical to alpha-amino carbon-centered radical is postulated. Molecular geometry plays an important part in deciding the transformation rates (k(6)) of different thiyl radicals.

  DOI：

  10.1021/ja00105a048

文献信息

• Determinations of the rate constants of the reactions Cl + N3Cl and N3 + NO at 295 K
  作者：John Brunning、Michael A.A. Clyne

  DOI：10.1016/0009-2614(84)80308-5

  日期：1984.4

  The kinetics of reactions involving the ground-state azide radical, N3 (X2Πg, have been investigated in a discharge-flow system using mass spectrometric detection with molecular-beam sampling. The following rate constants have been determined at 295 K: Cl + N3Cl → Cl2 + N3,k295 = (1.78 ± 0.26) × 10−12 cm3 s−1 (1σ): N3 + NO → N2O + N2, k295 = (1.19 ± 0.31) × 10.−12 cm3 s−1 (1σ). A method for determining

  涉及基态叠氮化物基团，反应的动力学Ñ 3（X 2 Π克，已使用质谱检测用分子束采样在放电流系统研究的以下速率常数在295K下被确定。： Cl + N 3 Cl→Cl 2 + N 3，k 295 =（1.78±0.26）×10 -12 cm 3 s -1（1σ）：N 3 + NO→N 2 O + N 2，k 295 =（1.19） ±0.31）×10. -12 cm 3 s -1（1σ）。报告了确定绝对N 3自由基浓度的方法。
• Aspects of the oxidation of naphthazarin as studied by pulse radiolysis
  作者：Tulsi Mukherjee、Edward J. Land、A. John Swallow、J. Malcolm Bruce、Paul. C. Beaumont、Barry J. Parsons

  DOI：10.1039/f19888403423

  日期：——

  on reaction of naphthazarin (5,8-dihydroxy-1,4-naphthoquinone) with the oxidising radicals OH˙, O˙–, N˙3, Br˙–2, SO˙–4, ĊH2CHO and ĊHCHO– have been determined by pulse radiolysis. Although all these oxidants give some semioxidised naphthazarin, other species such as adducts may also be formed. SO˙–4, O˙– and N˙3 in strong alkali appear to lead predominantly to semioxidised naphthazarin which exists in

  分光特性和与所述氧化自由基形成在萘茜（5,8-二羟基-1,4-萘醌）的反应中间体相关联的动力学参数OH ˙，O- ˙-，N ˙ 3，溴˙- 2，SO ˙ - 4，CH 2 CHO和CHCHO -已经通过脉冲辐确定。尽管所有这些氧化剂都会产生一些半氧化的萘他林，但也可能形成其他物种，例如加合物。SO ˙- 4，O- ˙-和N ˙ 3 在强碱中，半胱氨酸似乎主要导致以pH高于5的阴离子形式存在的半氧化萘他林。在各种条件下，提出了半氧化自由基衰变的可能机理。
• The 308 nm laser photodissociation of HN3 adsorbed on Si(111)-7 × 7
  作者：Y. Bu、M.C. Lin

  DOI：10.1016/0039-6028(94)91293-9

  日期：1994.1

  Abstract The photodissociation of HN 3 adsorbed on Si(111)-7 × 7 at 308 nm was investigated using HREELS and XPS. Species such as NH x , N 2 , and N 3 , were identified on the surface with comparable concentrations after the irradiation with 1 × 10 20 photons of a 10 L HN 3 dosed Si(111) surface. The N 3 species showed two stretching modes at 178 and 255 meV, while that of the N 2 appeared at 206 me

  摘要 使用 HREELS 和 XPS 研究了吸附在 Si(111)-7 × 7 上的 HN 3 在 308 nm 处的光解离。在用 10 L HN 3 剂量的 Si(111) 表面的 1 × 10 20 光子照射后，在表面上鉴定出诸如 NH x 、N 2 和 N 3 之类的物质，浓度相当。N 3 物种在178和255 meV处显示出两种拉伸模式，而N 2 在HREELS中的206 me V处出现拉伸模式。相应的 XPS 结果也证实了这些产物的形成。进一步的激光照射导致吸附物解离和部分解吸，NH x 留在表面。将辐照后的样品退火至 500 和 800 K 导致 NH 键断裂和 H 物质解吸，而原子 N 保留在表面上形成氮化硅。
• Photodissociation of HN₃ at 248 nm and Longer Wavelength:  A CASSCF Study
  作者：Wei-Hai Fang

  DOI：10.1021/jp993386c

  日期：2000.5.1

  In the present work, photodissociation of HN3 at 248 nm and longer wavelength is investigated with the complete active space SCF (CASSCF) molecular orbital method. The stationary points on the ground- and excited-state potential energy surfaces are fully optimized at the CASSCF level with cc-pVDZ and cc-pVTZ basis sets. The potential energy profiles, governing HN3 dissociation to NH + N2 and H + N3

  在目前的工作中，使用完全活性空间 SCF (CASSCF) 分子轨道方法研究了 HN3 在 248 nm 和更长波长的光解。使用 cc-pVDZ 和 cc-pVTZ 基组在 CASSCF 水平上对基态和激发态势能表面上的驻点进行了全面优化。控制 HN3 解离为 NH + N2 和 H + N3 的势能分布通过多参考 MP2 (CASPT2) 算法进行表征。根据获得的解离势能面及其交叉点确定导致不同产物的途径。对目前和以前的理论结果和实验结果进行了比较。本研究深入了解 HN3 在 355 至 248 nm 波长范围内的紫外光解离机制。
• Electron transfer between azide and chlorine dioxide: the effect of solvent barrier nonadditivity
  作者：H. H. Awad、D. M. Stanbury

  DOI：10.1021/ja00062a030

  日期：1993.5

  The reaction of chlorine dioxide with excess azide in aqueous media proceeds with complex kinetics and produces N 2 , N 2 O, NO 3 - , Cl - , and ClO 2 - . In the presence of the spin trap PBN, the reaction is much simpler.

  二氧化氯与过量叠氮化物在水性介质中的反应以复杂的动力学进行并产生 N 2 、N 2 O、NO 3 - 、Cl - 和 ClO 2 - 。在自旋陷阱 PBN 的存在下，反应要简单得多。