[¹⁵N]-nitric acid | 7697-37-2

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 非金属氧阴离子化合物
• 英文名称: [¹⁵N]-nitric acid
• 英文别名: [¹⁵N]-nitric acid；(15)N-nitric acid；(15N)nitric acid；[15N]nitric acid；nitric acid
• CAS: 7697-37-2
• 化学式: HNO₃
• 分子量: 64.0061
• InChiKey: GRYLNZFGIOXLOG-OUBTZVSYSA-N

物化性质

• 熔点：
  -41.6 °C
• 沸点：
  83 °C
• 密度：
  1.55 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  4
• 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：
  66
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 安全说明：
  S23,S26,S36,S45
• 危险品运输编号：
  UN 3264 8/PG 3
• WGK Germany：
  1
• 海关编码：
  2808000090
• 危险类别：
  8
• 危险品标志：
  C
• 危险类别码：
  R35,R8
• RTECS号：
  QU5900000
• 包装等级：
  II
• 危险标志：
  GHS03,GHS05,GHS06
• 危险性描述：
  H272,H290,H311 + H331,H314
• 危险性防范说明：
  P210,P220,P280,P303 + P361 + P353,P304 + P340 + P310,P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  [¹⁵N]-nitric acid 以 solid matrix 为溶剂， 生成 ((15)N)peroxynitrous acid
  参考文献：
  名称：

  固体氩中硝酸的光解：过氧亚硝酸（HOONO）的红外吸收

  摘要：

  Nitric acid (HONO2) in solid argon at 12 K was irradiated with ultraviolet light from various sources. Recombination of the fragments OH and NO2 from photolysis within the argon lattice site has led to the formation of peroxynitrous acid (HOONO). IR absorption lines at 3545.5, 1703.6, 1364.4, 952.0, and 772.8 cm-1 have been assigned to this molecule on the basis of isotopic shifts. Under certain conditions the lines at 3563.3, 1708.3, 1372.7, 957.4, and 782.9 cm-1 were also observed, and they have been attributed to HOONO in a less stable matrix site. The observed vibrational frequencies are in agreement with recent theoretical calculations on HOONO. The implication of the formation of HOONO from HONO2 to atmospheric chemistry is also discussed.

  DOI：

  10.1021/j100160a034
• 作为产物：
  描述：

  硝酸钠-15N 、 硫酸 以 not given 为溶剂， 生成 [¹⁵N]-nitric acid
  参考文献：
  名称：

  Analyses of the Infrared Absorption Bands of ¹⁵NO₃ in the 1850−3150 cm⁻¹ Region

  摘要：

  We have observed the infrared spectrum of (NO3)-N-15 by a high resolution Fourier transform infrared (FT-IR) spectrometer using the reaction of F atoms with (HNO3)-N-15. Five E-2'-(2)A(2)' bands ire identified in the 1850-3150 cm(-1) region. The rotational analyses indicate that these bands have the lower state in common, which coincides with the ground state of planar D-3h symmetry. The upper E-2' states more or less suffer from perturbations by close-lying dark states. Among them, those of the 2004, 2128, and 2492 cm(-1) bands are analyzed to determine molecular parameters in these states by fixing the ground-state constants to those derived by a combination difference method. The spin-orbit and Coriolis coupling constants in the E-2' states are substantially different for different vibronic states, The vibrational assignments of NO3 in the ground electronic state are discussed using experimental data heretofore available, Supplemented by those obtained by the present study.

  DOI：

  10.1021/jp908386n
• 作为试剂：
  描述：

  L-酪氨酸 在 [¹⁵N]-nitric acid 作用下， 以 水 为溶剂， 以80%的产率得到3-[15N]-nitrotyrosine
  参考文献：
  名称：

  E. 的 PCET 途径上瞬态 3-氨基酪氨酰自由基的结构检查。多频 EPR 光谱法测定大肠杆菌核糖核苷酸还原酶

  摘要：

  大肠杆菌核糖核苷酸还原酶 (RNR) 催化核苷酸转化为脱氧核苷酸，该过程需要从 β2 亚基内的酪氨酰自由基 (Y122•) 到 α2 内的半胱氨酸残基 (C439) 35 Å 以上的长程自由基转移亚基。提出自由基转移步骤是通过质子耦合电子转移通过特定途径发生的，该途径由 β2 中的 Y122 → W48 → Y356 组成，穿过亚基界面到达 α2 中的 Y731 → Y730 → C439。使用抑制 tRNA/氨酰基-tRNA 合成酶 (RS) 方法，3-氨基酪氨酸已被整合到 α2 的 730 位。将该突变体与β2、底物和变构效应物一起孵育导致Y122• 的丢失并形成新的自由基，先前提出为3-氨基酪酰基自由基(NH2Y•)。在当前的研究中，[15N]- 和 [14N]-NH2Y730• 是在 H2O 和 D2O 中生成的，并通过 9 GHz EPR 连续波和 9、94 和 180 GHz 脉冲

  DOI：

  10.1021/ja903879w

文献信息

• Behaviors of the One-Electron Reduction Species of {RuNO}⁶-Type Complexes. An Oxygen-Transfer Reaction Occurs in the Nitrosyl Site of<b><i>cis</i></b>-[Ru(NO^·)X(bpy)₂]^{<b><i>n</i></b>+}(X = ONO₂for n = 1, X = CH₃CN, H₂O for n = 2) ({RuNO}⁷-Type) to Give an Identical Nitro Species
  作者：Masao Mukaida、Yoshinobu Sato、Hideji Kato、Mami Mori、Dai Ooyama、Hirotaka Nagao、F. Scott Howell

  DOI：10.1246/bcsj.73.85

  日期：2000.1

  Degradation sequences of cis-[Ru(NO·)X(bpy)2]n+ (X = ONO2, OCHO, OCOMe, NO2, Cl for n = 1; X = CH3CN, H2O for n = 2) (RuNO}7-type), a one-electron reduction species of RuNO}6-type complexes, were investigated in CH3CN by monitoring using electrochemical techniques (both cyclic and hydrodynamic voltammetries). The results show that an oxygen transfer occurs effectively at the nitrosyl site of cis-[Ru(NO·)X(bpy)2]n+ (X = ONO2 for n = 1, X = CH3CN, H2O for n = 2) to give identical nitro species, cis-[Ru(NO2)(CH3CN)(bpy)2]+. The extent that the nitrosyl-to-nitro conversion proceeded, however, differs depending on the X ligands; X = CH3CN and H2O complexes gave the nitro species in almost 40% yield, while X = ONO2 complex afforded nearly 80%. The monitoring results of the degradation sequences, along with the differences in yields, suggest that different processes are operating separately in the oxygen-transfer reaction. We propose some possible processes for both reactions, although a further investigation is needed for a detailed explanation.

  cis-[Ru(NO·)X(bpy)2]n+ 的降解序列 (X = O , OCHO, OCOMe, NO2, Cl for n = 1; X = CH3CN, H2O for n = 2) (RuNO}7 -型），一种RuNO}6型配合物的单电子还原物质，通过使用电化学技术（循环伏安法和流体动力伏安法）监测在CH3CN中进行了研究。结果表明，氧转移在 cis-[Ru(NO·)X(bpy)2]n+ (X = O for n = 1, X = CH3CN, for n = 2) 的亚硝酰基位点有效发生，得到相同的硝基物种，cis-[Ru( )(CH3CN)(bpy)2]+。然而，亚硝酰基向硝基转化的程度根据 X 配体的不同而不同。 X = CH3CN 和 络合物产生硝基物质的产率接近 40%，而 X = O 络合物的产率接近 80%。降解序列的监测结果以及产率的差异表明，氧转移反应中不同的过程是分开进行的。我们提出了这两种反应的一些可能的过程，尽管需要进一步研究才能得到详细的解释。
• A multinuclear solid-state magnetic resonance study of silver nitrate triphenylphosphine
  作者：Se-Woung Oh、Guy M Bernard、Roderick E Wasylishen、Robert McDonald、Michael J Ferguson

  DOI：10.1139/v05-174

  日期：2005.10.1

  Variable-temperature solid-state³¹P,¹⁵N, and²H NMR spectroscopy, X-ray diffraction, and differential scanning calorimetry studies of the 1:1 adduct of silver nitrate and triphenylphosphine (AgNO₃·PPh₃) reveal a solid–solid phase transition at 300 K. The principal components of the phosphorus and nitrogen chemical shift tensors for both phases are determined from NMR spectra of MAS and stationary samples. In addition, the indirect spin-spin coupling between phosphorus and the naturally occurring isotopes of silver (¹⁰⁷Ag and¹⁰⁹Ag) are resolved. Experimental²H NMR line shapes for silver nitrate perdeuterated triphenylphosphine are those characteristic of rigid phenyl groups at temperatures above and below the phase-transition temperature. Powder and single-crystal X-ray diffraction data for AgNO₃·PPh₃obtained at 193, 295, and 313 K are reported; data obtained at 193 and 295 K are almost identical, but are significantly different from those obtained at 313 K and from an earlier single-crystal X-ray diffraction investigation performed at 298 K. All X-ray studies found that AgNO₃·PPh₃crystallizes in the monoclinic form, space group P2₁/c.Key words: 1:1 silver nitrate triphenylphosphine adduct, solid-state NMR, X-ray diffraction, phase transition.

  变温固态³¹P，¹⁵N和²H NMR光谱，X射线衍射和差示扫描量热法研究了硝酸银和三苯基膦（AgNO₃·PPh₃）的1:1加合物，发现在300K时有一个固-固相变。通过MAS和静态样品的NMR光谱确定了两个相的磷和氮化学位移张量的主要成分。此外，解决了磷和天然存在的银同位素（¹⁰⁷Ag和¹⁰⁹Ag）之间的间接自旋-自旋耦合。对于银硝酸和氘代三苯基膦的实验²H NMR线形，在相变温度以上和以下，具有刚性苯基的特征。报道了AgNO₃·PPh₃在193、295和313K获得的粉末和单晶X射线衍射数据；在193和295K获得的数据几乎相同，但与在313K获得的数据以及在298K进行的早期单晶X射线衍射研究明显不同。所有X射线研究均发现AgNO₃·PPh₃以单斜形式结晶，空间群为P2₁/c。关键词：1:1硝酸银三苯基膦加合物，固态NMR，X射线衍射，相变。
• Determination of nitrogen chemical shift anisotropy from the second-order cross-term in 14N MAS NMR spectroscopy
  作者：Tania Giavani、Henrik Bildsøe、Jørgen Skibsted、Hans J. Jakobsen

  DOI：10.1016/s0009-2614(03)01140-0

  日期：2003.8

  determination of nitrogen chemical shift anisotropies (CSAs) employing 14N MAS NMR spectroscopy is presented. The method utilizes the effect of the second-order cross-term between the quadrupolar coupling and chemical shift interaction in the average Hamiltonian on the lineshape for the individual resonances within the manifold of 14N spinning sidebands, as illustrated by determination of the 14N CSA for Pb(NO3)2

  提出了一种利用14 N MAS NMR光谱测定氮化学位移各向异性（CSAs）的新方法。该方法利用了平均哈密顿量中四极偶合和化学位移相互作用之间的二阶交叉项对线形的影响，该线形对于14 N旋转边带的歧管内的各个共振，如确定14 N CSA所示。对于Pb（NO 3）2。此交叉项的二阶功能可确保MAS不能对CSA进行平均。通过确定14 N CSA中的Pb（NO 3）2可以说明这一点。以14 N CSA的两倍旋转（12 kHz）。
• Pd‐Doped Co₃O₄ Nanoarray for Efficient Eight‐Electron Nitrate Electrocatalytic Reduction to Ammonia Synthesis
  作者：Xiaoya Fan、Chaozhen Liu、Zixiao Li、Zhengwei Cai、Ling Ouyang、Zerong Li、Xun He、Yongsong Luo、Dongdong Zheng、Shengjun Sun、Yan Wang、Binwu Ying、Qian Liu、Asmaa Farouk、Mohamed S. Hamdy、Feng Gong、Xuping Sun、Yinyuan Zheng

  DOI：10.1002/smll.202303424

  日期：2023.10

  green hydrogen rich fuel. Electrochemical nitrate (NO3−) reduction reaction (NO3−RR) is being explored as a promising strategy for green to synthesize industrial-scale NH3, which has nonetheless involved complex multi-reaction process. This work presents a Pd-doped Co3O4 nanoarray on titanium mesh (Pd-Co3O4/TM) electrode for highly efficient and selective electrocatalytic NO3−RR to NH3 at low onset

  氨（NH 3）是化肥生产不可缺少的原料，也是最理想的绿色富氢燃料之一。电化学硝酸盐（NO 3 -）还原反应（NO 3 - RR）作为一种有前途的绿色合成工业规模NH 3的策略正在被探索，但它涉及复杂的多反应过程。这项工作提出了钛网上的 Pd 掺杂 Co 3 O 4纳米阵列 (Pd-Co 3 O 4 /TM) 电极，用于在低起始电位下高效、选择性地电催化 NO 3 - RR 生成 NH 3 。精心设计的Pd-Co 3 O 4 /TM可在-0.3 V下提供745.6 µmol h -1 cm -2的高NH 3产率和98.7%的极高法拉第效率（FE），且稳定性强。这些计算进一步表明，用Pd掺杂Co 3 O 4改善了Pd-Co 3 O 4的吸附特性并优化了中间体的自由能，从而促进了反应动力学。此外，将该催化剂组装在Zn-NO 3 -电池中实现了3.9 mW cm -2的功率密度和对于NH 3的98
• Fanning, James C.; Resce, James L.; Lickfield, Gary C., Inorganic Chemistry, 1985, vol. 24, # 19, p. 2884 - 2889
  作者：Fanning, James C.、Resce, James L.、Lickfield, Gary C.、Kotun, Margaret E.

  DOI：——

  日期：——