nitric oxide | 15917-78-9

• 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: nitric oxide
• 英文别名: nitrogen oxide
• CAS: 15917-78-9
• 化学式: NO
• 分子量: 32.0067
• InChiKey: MWUXSHHQAYIFBG-HQMMCQRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  nitric oxide 、 重氢氟化 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  Infrared spectra and UHF SCF calculations of HF complexes with NO, (NO)₂, and NO₂

  摘要：

  HF complexes with nitric oxide and nitrogen dioxide were prepared in argon matrices and studied using IR spectroscopy and unrestricted Hartree–Fock SCF calculations. The results indicate the formation of three different complexes NO--HF, ONNO--HF, and ONO--HF, in which the hydrogen atom of HF is bound to an oxygen atom of the base in each complex. Perturbations in the N–O stretching base submolecule modes were observed in each complex and all were blue shifted with respect to the free base. From the calculations, the unpaired electron was found to be contained in a π antibonding orbital which is in the plane of the NO–HF and ONO–HF complexes.

  DOI：

  10.1063/1.452490
• 作为产物：
  描述：

  nitrogen(IV) oxide-18O 在 Hg 作用下， 以 neat (no solvent) 为溶剂， 生成 nitric oxide
  参考文献：
  名称：

  Nitric Oxide Dioxygenation Reaction by Oxy-Coboglobin Models: In-situ Low-Temperature FTIR Characterization of Coordinated Peroxynitrite

  摘要：

  The oxy-cobolglobin models of the general formula (NH3)Co(Por)(O-2) (Por = meso-tetra-phenyl and meso-tetra-p-tolylpoiphyrinato dianions) were constructed by sequential low temperature interaction of NH3 and dioxygen with microporous layers of Co-porphyrins. At cryogenic temperatures small increments of NO were introduced into the cryostat and the following reactions were monitored by the FTIR and UV-visible spectroscopy during slow warming. Upon warming the layers from 80 to 120 K a set of new IR bands grows with correlating intensities along with the consumption of the nu(O-2) band. Isotope labeling experiments with O-18(2), (NO)-N-15 and (NO)-O-18 along with DFT calculations provides a basis for assigning them to the six-coordinate peroxynitrite complexes (NH3)Co(Por)(OONO). Over the course of warming the layers from 140 to 170 K these complexes decompose and there are spectral features suggesting the formation of nitrogen dioxide NO2. Upon keeping the layers at 180-210 K the bands of NO2 gradually decrease in intensity and the set of new bands grows in the range of 1480, 1270, and 980 cm(-1). These bands have their isotopic counterparts when (NO)-N-15, O-18(2) and (NO)-O-18 are used in the experiments and certainly belong to the 6-coordinate nitrato complexes (NH3)Co(Por)(eta(1)-ONO2) demonstrating the ability of oxy coboglobin models to promote the nitric oxide dioxygenation (NOD) reaction similar to oxy-hemes. As in the case of lib, Mb and model iron-porphyrins, the six-coordinate nitrato complexes are not stable at room temperature and dissociate to give nitrate anion and oxidized cationic complex Co(III)(Por)(NH3)(1,2).

  DOI：

  10.1021/ja305774v

文献信息

• Studies of the mechanism of ammonia oxidation into nitrous oxide over MnBiO/α-Al2O3 catalyst
  作者：E.M Slavinskaya、S.A Veniaminov、P Notté、A.S Ivanova、A.I Boronin、Yu.A Chesalov、I.A Polukhina、A.S Noskov

  DOI：10.1016/j.jcat.2003.09.029

  日期：2004.2.15

  spectroscopies, was used for characterization of the highly selective supported manganese–bismuth oxide catalysts and for the study of the mechanism of the ammonia oxidation. Ammonia oxidation was demonstrated to proceed via alternating reduction and reoxidation of the catalyst surface with participation of the lattice oxygen. NH3 interacts with weakly bonded oxygen species through hydrogen atom abstraction to

  一个复杂的动力学和物理化学方法：温度编程的表面反应（TPSR），脉冲NH 3或NH 3 / 16 Ô 2（18 Ò 2）的反应混合物，和红外和光电子光谱，被用于的高选择性支持表征锰-铋氧化物催化剂以及用于氨氧化机理的研究。氨氧化被证明是通过在晶格氧的参与下催化剂表面的交替还原和再氧化而进行的。NH 3通过夺取氢原子与弱键合的氧物种相互作用，形成吸附的[N]物种，它们位于Mn 2+上和Mn δ +（2 < δ <3）。氧化度不同的锰离子（Mn 3+（Mn 4+）和Mnδ +）用作催化剂表面的活性中心。建立了对N 2 O的选择性与Mn 3+（Mn 4+）态的锰含量之间的相关性。氧化铋通过增加地下氧气的数量，迁移率和热稳定性起重要作用。根据实验结果提出了反应动力学方案。TPSR数据的数值模拟证实了所提出反应机制的可靠性。
• Investigation of the selective catalytic reduction of nitric oxide with ammonia over Mn/TiO2 catalysts through transient isotopic labeling and in situ FT-IR studies
  作者：Padmanabha Reddy Ettireddy、Neeraja Ettireddy、Thirupathi Boningari、Robert Pardemann、Panagiotis G. Smirniotis

  DOI：10.1016/j.jcat.2012.04.019

  日期：2012.8

  surface lattice oxygen but not direct contact with the gas phase oxygen. This is consistent with the view that the lattice oxygen of Mn/TiO2 catalyst has direct effect on the reaction mechanism rather than gas phase oxygen. Our labeling experiments suggest that the SCR reaction rate is very small in the absence of gas phase oxygen and enhanced distinctly by the addition of excess oxygen. The cross-labeled

  瞬态同位素标记研究是在稳态条件下使用含15 N（15 NO和15 NH 3）和18 O（18 O 2）的物种进行的，以研究NO低温SCR在Mn / TiO上的反应机理。2。我们的研究表明，一氧化氮既不会形成一氧化二氮，也不会与气相氧氧化为二氧化氮。以时间分辨率获得的结果表明，氨与晶格氧的反应实际上是瞬时的。标记的N 2 18 O，N 18 O和H的形成通过NH 3与催化剂表面晶格氧的接触而不是与气相氧的直接接触，可以看出2 18 O的种类。这与Mn / TiO 2催化剂的晶格氧对反应机理而不是气相氧具有直接影响的观点是一致的。我们的标记实验表明，在不存在气相氧气的情况下，SCR反应速率非常小，并且通过添加过量氧气可以显着提高SCR反应速率。在NH 3标记研究期间，交叉标记的15 N 14 N是氮的主要形式。SCR反应温度的升高单调地增强了氨氧化。15 N的演变来自标记的氨（15 NH 3）和未标记的一氧化氮（14
• Nitric Oxide Interaction with Oxy–Coboglobin Models Containing <i>trans</i>-Pyridine Ligand: Two Reaction Pathways
  作者：Tigran S. Kurtikyan、Shahane R. Eksuzyan、John A. Goodwin、Gohar Sh. Hovhannisyan

  DOI：10.1021/ic4018689

  日期：2013.10.21

  six-coordinate nitrato complexes decompose to give nitrate anion and oxidized cationic complex CoIII(Por)(Py)2. In the presence of NO excess, however, the nitro–pyridine complexes (Py)Co(Por)(NO2) are predominantly formed formally indicating the oxo-transfer reactivity of (Py)Co(Por)(η1-ONO2) with regard to NO. Using differently labeled nitrogen in nitric oxide and coordinated nitrate a plausible mechanism of

  通式的氧cobolglobin模型（PY）的Co（POR）（O 2）（POR =内消旋四苯基和内消旋-四氢p -tolylporphyrinato二价阴离子）的PY的顺序低温相互作用和分子氧与构建卟啉微孔层。在低温下，低温恒温器中会引入少量的NO，并在缓慢升温期间通过FTIR和UV-可见光谱监测以下反应。类似于最近研究（NH 3）的Co（POR）（O 2）的系统（Kurtikyan等人J. PM。化学会志，2012，134，13671-13680），该相互作用导致与热不稳定硝酸根复合体的形成所述一氧化氮双加氧反应（PY）的Co（POR）（η 1 -ONO 2）。通过形成该反应进行六配位过氧化亚硝酸盐加合物（PY）的Co（POR）（OONO），如通过FTIR测量显示出与使用的同位素标记的18 Ò 2，15 NO，N 18 O，和15 Ñ 18种O和DFT计算。但是，与氨系统相反，（Py）Co（Por）（O
• Absorption Spectra of Ground-State and Low-Lying Electronic States of Copper Nitrosyl: A Rare Gas Matrix Isolation Study
  作者：Lahouari Krim、Xuefeng Wang、Laurent Manceron、Lester Andrews

  DOI：10.1021/jp053778l

  日期：2005.11.1

  reaction of ground-state Cu atoms with NO during condensation in solid argon, neon, and binary argon/neon mixtures has been reinvestigated. In addition to the ground-state already characterized in rare gas matrixes by its nu1 mode in reactions of laser-ablated Cu with nitric oxide, another very low lying electronic state is observed for CuNO in solid argon. Photoconversion and equilibrium processes are observed

  在固态氩气，氖气和二元氩气/氖气混合物中缩合期间，基态铜原子与NO的反应已得到重新研究。除了在激光烧蚀的铜与一氧化氮反应中已经以稀有气体基质的nu1模式表征的基态之外，在固态氩气中还观察到了另一个非常低的电子态。在可见光和近红外光中，光激发到第二和第三激发态之后，在两个最低的电子态之间观察到光转换和平衡过程。还记录了CuNO配合物的电子光谱，以了解光转换过程。在固体氖中，仅观察到基态（可能为1A'）以及第二和第三激发态。这表明与氩气笼的相互作用使三重态稳定，从而使1A'和3A''态在固态氩气中几乎等能量。基于先前基于非常低的1A'和3A''的DFT计算得出的预测，提出了一种机制，其中涉及单重态-三重态状态流形。对于这两个较低的电子态和一个较高的电子态，已测量了nu1，nu2和nu3上的14N / 15N，16O / 18O和63Cu / 65Cu同位素数据。根据谐波力场的计算和振动过程中的
• High resolution Fourier transform infrared spectrum of 79Br14N18O: analysis of the ν1 band
  作者：G. Brizzi、C. Puzzarini、A. Perrin、J. Orphal、H. Willner、P. Garcia

  DOI：10.1016/j.molstruc.2004.11.091

  日期：2005.5

  Abstract The first high-resolution Fourier transform infrared spectrum of the ν 1 fundamental band of the 79 Br 14 N 18 O isotopic species of nitrosyl bromide located at 1751.29495(2) cm −1 has been analyzed. Using the Watson-type A-reduced Hamiltonian, the study of the rovibrational transitions has been performed. Rotational constants, quartic and sextic centrifugal distortion terms for the ν 1 =1

  摘要 分析了亚硝酰溴的 79 Br 14 N 18 O 同位素物种 ν 1 基带的第一个高分辨率傅里叶变换红外光谱，位于 1751.29495(2) cm -1 处。使用 Watson 型 A 约简哈密顿量，已经进行了对振动跃迁的研究。已经导出了 ν 1 =1 和振动基态的旋转常数、四次和六次离心畸变项。在这项工作中获得的基态参数已与文献中可用的经验改进的 MRCI（多参考配置相互作用）力场确定的相应常数进行了比较。