| 51222-94-7

• CAS: 51222-94-7
• 化学式: C₃NiO₃
• 分子量: 142.721
• InChiKey: ZZOOCAMGKYTKDW-UHFFFAOYSA-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：

  在 CH₂Cl₂ or CH₃Cl 作用下， 以 gaseous matrix 为溶剂， 以0%的产率得到
  参考文献：
  名称：

  卤代烷烃与几种17电子过渡金属络合负离子在气相中的卤原子转移反应动力学和机理

  摘要：

  在流动的余辉装置中测量了过渡金属复合阴离子自由基 (L(OC) x−1 M •− ) 与多达 14 种卤代甲烷和乙烷 (RX) 之间的卤素原子转移反应的速率常数

  DOI：

  10.1021/ja00198a001
• 作为产物：
  描述：

  tetracarbonyl nickel 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  卤代烷烃与几种17电子过渡金属络合负离子在气相中的卤原子转移反应动力学和机理

  摘要：

  在流动的余辉装置中测量了过渡金属复合阴离子自由基 (L(OC) x−1 M •− ) 与多达 14 种卤代甲烷和乙烷 (RX) 之间的卤素原子转移反应的速率常数

  DOI：

  10.1021/ja00198a001

文献信息

• Reactions of Laser-Ablated Ni, Pd, and Pt Atoms with Carbon Monoxide:  Matrix Infrared Spectra and Density Functional Calculations on M(CO)<i>_n</i> (<i>n</i> = 1−4), M(CO)<i>_n</i>^- (<i>n</i> = 1−3), and M(CO)<i>_n</i>⁺ (<i>n</i> = 1−2), (M = Ni, Pd, Pt)
  作者：Binyong Liang、Mingfei Zhou、Lester Andrews

  DOI：10.1021/jp993646q

  日期：2000.5.1

  Laser-ablated Ni, Pd, and Pt atoms have been reacted with CO molecules followed by condensation in excess neon at 4 K. Besides the neutral metal carbonyl species, metal carbonyl anions [M(CO)n- (n = 1−3)] and cations [Ni(CO)n+ (n = 1−4), Pd(CO)n+ (n = 1,2), and Pt(CO)n+ (n = 1−3)] have been produced and identified. Doping with the CCl4 electron trap increases cation and decreases anion absorptions

  激光烧蚀的 Ni、Pd 和 Pt 原子已与 CO 分子反应，然后在 4 K 时在过量氖中缩合。除了中性金属羰基物质外，金属羰基阴离子 [M(CO)n- (n = 1−3) ] 和阳离子 [Ni(CO)n+ (n = 1-4)、Pd(CO)n+ (n = 1,2) 和 Pt(CO)n+ (n = 1-3)] 已经产生和鉴定。掺杂 CCl4 电子陷阱会增加阳离子并减少阴离子吸收，并确认离子种类的识别。从 DFT 计算中观察到的波段和频率与同位素频率比之间的极好一致性支持振动分配和这些金属羰基配合物的识别。
• Chemistry of electron deficient carbonyl metallate ions: gas phase reactions of [metal(CO)x]−, metal=Cr, Mn; x=3, 4 and [metal(CO)y]−, metal=Fe, Ni; y=2, 3 with carbon disulfide
  作者：I.K. Gregor

  DOI：10.1016/s0020-1693(00)85084-7

  日期：1990.10
• Gas-phase reactions of chromium, iron, and nickel carbonyls of Cr(CO)5-, Fe(CO)4-, and Ni(CO)3- with organic electrophiles
  作者：Ying H. Pan、Douglas P. Ridge

  DOI：10.1021/ja00034a001

  日期：1992.4

  Rate constants and product distributions for reactions of the title anions with 15 organic electrophiles as measured by Fourier transform ion cyclotron resonance techniques are reported. The electrophiles are all aromatic or olefinic compounds with electronegative substituents. The reaction efficiencies defined as the overall rate constant divided by the collision rate (k/k(c)) vary from unity to unmeasurable (upper limit 10(-3) or less). For each anion reactivity drops rapidly as the electron affinity (EA) of the electrophile drops below some critical range values. The critical range (eV) is 0.62-0.91, 1.01-1.29, and 1.29-1.44 for Ni(CO)3-, Cr(CO)5-, and Fe(CO)4-, respectively. Eight cases were examined where the EA of the electrophile was below the critical range, and no reactivity was observed for any of those cases. Twenty-four cases were examined where the EA of the electrophile is above the critical range, and in all of those cases reaction was efficient (k/k(c) > 0.10). Reactivity was observed for the four cases where the EA of the electrophile was in the critical range, but the efficiency was lower (k/k(c) < 0.05). In most cases where any reaction was observed displacement of one or more CO ligands was the dominant process. Exothermic charge transfer competes with ligand substitution in the Ni(CO)3- reactions, but only with tetracyanoethylene is charge transfer a significant product for Cr(CO)5- and Fe(CO)4-. These results are interpreted in terms of a mechanism for ligand substitution involving incipient charge transfer within a collision complex to produce a 16-electron metal center which then undergoes substitution. The ligand substitution results are compared to previous results on the reactions of the title ions both in the gas phase and in solution. Products of subsequent reactions of the initial products are described. It is suggested that oxidative addition to the metal of carbon-halogen and in one case carbon-carbon bonds (i.e., the decarbonylation of benzophenone) plays a role in this chemistry. One sequence of reactions is described that appears to involve formation of a carbon-carbon bond (i.e., the coupling of two 4-nitrophenyl groups in reactions of 1-bromo-4-nitrobenzene).
• Dissociative electron attachment reactions of transition metal carbonyls and their apparent influence on the thermalization of electrons by CO₂
  作者：Patricia M. George、J. L. Beauchamp

  DOI：10.1063/1.443389

  日期：1982.3.15

  Dissociative electron attachment rates are measured for the transition metal carbonyls V(CO)6, Cr(CO)6, Fe(CO)5, Ni(CO)4, Mo(CO)6, and W(CO)6. Rates are measured as a function of the pressure of CO2 added to relax epithermal electrons. Derived thermal rate constants for the formation of M(CO)−n−1 from M(CO)n are 0.6, 3.0, 2.0, 2.0, 1.3, and 1.2×10−7 cm3 molecule−1 s−1, respectively. The differences in these rate constants may be attributed to the different stabilities of the molecular anion with regard to dissociation versus autodetachment. The measured rate of thermalization of electrons by CO2 varies with the metal carbonyl used and depends on the variation of the dissociative electron capture cross section with electron energy. Each system is thus tightly coupled in that the electron energy distribution is determined not only by collisional processes involving CO2 but varies as well with the energy dependent depletion of the distribution by reactant species.