hydroxymethylidyne cation | 60528-75-8

• 英文名称: hydroxymethylidyne cation
• 英文别名: isoformyl cation
• CAS: 60528-75-8
• 化学式: CHO
• 分子量: 29.0183
• InChiKey: FIRPXVMETWVPCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  hydroxymethylidyne cation 以 gas 为溶剂， 生成 一氧化碳
  参考文献：
  名称：

  Rosati, Richard E.; Skrzypkowski, Miroslaw P.; Johnsen, Rainer, Journal of Chemical Physics, p. 1 - 8

  摘要：

  DOI：
• 作为产物：
  描述：

  一氧化碳 在 氢气 作用下， 生成 hydroxymethylidyne cation
  参考文献：
  名称：

  An absolute proton affinity scale in the ∼130–140 kcal mol⁻¹ range

  摘要：

  The dependences on temperature of the rate coefficients for the endothermic proton transfer reactions of HBr+ with CO2 and CH4 have been obtained in a variable-temperature selected ion flow tube. The measurements have been used to determine the 300 K proton affinity of CO2, P.A.(CO2), =128.5±1.0 kcal mol−1, utilizing the literature value of P.A.(Br)=131.8 kcal mol−1, obtained from the dissociation energy of HBr+, as a primary standard. The proton affinity difference between CO2 and CH4 has been substantiated by equilibrium constant measurements as a function of temperature for proton transfer between CO2 and CH4. Similar equilibrium constant measurements have been used to determine the proton affinities of HCl, N2 O, HBr, and CO, giving a proton affinity ladder ordered (in kcal mol−1) as CO(141.4), HBr(138.8), N2 O(137.3), HCl(133.0), Br(131.8), CH4 (130.0), and CO2(128.5). Proton affinities have also been determined for Br2(140.0), NO(127.0), and CF4(126.5), the last two values being obtained from selected ion flow drift tube measurements. An upper limit to P.A.(SF6) of 127 kcal mol−1 has been inferred from the instability of SF6 H+ towards dissociation into SF+5 and HF.

  DOI：

  10.1063/1.456834

文献信息

• Experimental study of HCN+ and HNC+ ion chemistry
  作者：Simon Petrie、Colin G. Freeman、Michael Meot-Ner、Murray J. McEwan、Eldon E. Ferguson

  DOI：10.1021/ja00176a006

  日期：1990.9

  room temperature selected ion flow tube study of reactions of HCN + and HNC + . Electron impact on HCN was found to produce a mixture of HCN + and HNC + isomers. HCN + was found to be isomerized efficiently to HNC + by reaction with CO or with CO 2 , and isomerization is expected to occur for any other species M having a proton affinity PA(CN at C)

  我们报告了室温选择离子流管研究 HCN + 和 HNC + 反应的结果。发现对 HCN 的电子撞击会产生 HCN + 和 HNC + 异构体的混合物。发现 HCN + 通过与 CO 或与 CO 2 反应可有效异构化为 HNC + ，并且对于具有质子亲和力 PA(CN at C) 的任何其他物质 M 预计会发生异构化
• Formation of the high-energy isomer HSiO+ by chemical reaction in the gas phase
  作者：Arnold Fox、Diethard K. Bohme

  DOI：10.1016/0009-2614(91)80297-b

  日期：1991.12

  high-energy isomer HSiO+ of protonated SiO has been generated by a fast O-atom transfer reaction between SiH+ and N2O in helium and hydrogen buffer gases at 0.35 Torr and 295±2 K. Formation of HSiO+ by O-atom transfer proceeds in competition with formation of the ground-state SiOH+ isomer, which is formally an insertion reaction. Other insertion reactions were observed in the reactions of SiH+ with

  高能量异构体HSIO +质子化的SiO已经通过的SiH之间的快速O型原子转移反应产生的+和N 2在0.35乇○在氦气和氢气缓冲气体和HSIO的295±2 K.形成+由O-原子转移与基态SiOH +异构体的形成竞争，这在形式上是一种插入反应。SiH +与CO 2和SO 2的反应中还观察到其他插入反应。从顺序的O原子转移和HSiO +到SiOH +的异构化方面考虑，合理的插入机理在中间配合物中，当初始O原子转移中有足够的过量能量时，异构化可通过配合物中的质子穿梭或单分子实现。在实验的操作条件下，高能异构体HSiO +不会通过与H 2反应而转化为SiOH +。
• Temperature dependence of ternary rate coefficients for the (CO)n−1++2CO⇌(CO)n++CO reaction, and the role of isomers for the growth of larger (CO)n+ clusters
  作者：S. Schlemmer、A. Luca、J. Glosik、D. Gerlich

  DOI：10.1063/1.1451247

  日期：2002.3.15

  Ternary rate coefficients for the title reaction have been measured using a rf 22-pole ion trap in the temperature range 65–300 K. For the formation of dimers, the ternary rate coefficient, k3, follows the power law 2.3×10−28 cm6/s×(300 K/T)m, with m=1.6±0.2 over the full temperature range of the experiment. This result is in good agreement with previous measurements at higher temperatures and also

  标题反应的三元速率系数已使用 22 极射频离子阱在 65–300 K 温度范围内测量。对于二聚体的形成，三元速率系数 k3 遵循幂律 2.3×10-28 cm6 /s×(300 K/T)m，在整个实验温度范围内，m=1.6±0.2。该结果与先前在较高温度下的测量以及理论预测非常一致。三聚体的形成用k3=1.3×10-29 cm6/s×(300 K/T)m表示，m=3.2±0.3。将先前在更高温度下测量的数据纳入评估，会导致更陡峭的温度依赖性。这些发现初步解释为 (CO)2+ 是一种具有低位振动模式的非线性分子。四聚体的形成，(CO)4+，非常慢并且显示出正的或接近零的温度依赖性。这种行为可以通过两种异构体的存在来解释。为了通过这个瓶颈，达到（CO）5+及更大的CL...
• Molecular motions of alkoxysilanes immobilized on silica surfaces: a deuterium NMR study
  作者：Eric C. Kelusky、Colin A. Fyfe

  DOI：10.1021/ja00268a005

  日期：1986.4

  surface-attached chains have been studied by /sup 2/H NMR. Deuterated alkoxysilanes were immobilized on silica gel and investigated both in the solid state and in the presence of solvents. In the solid state, the spectra exhibit motionally narrowed line shapes with the greatest narrowing and therefore the most motion being observed for the longest chains. The motions in the solid state persist to temperatures

  表面附着链的运动动力学已经通过 /sup 2/H NMR 进行了研究。氘代烷氧基硅烷被固定在硅胶上，并在固态和溶剂存在下进行研究。在固态下，光谱表现出运动变窄的线条形状，其中最长的链的变窄幅度最大，因此观察到的运动幅度最大。固态中的运动持续到低至 150 K 的温度，并且本质上可能是各向同性的。己烷和苯对烷氧基硅烷的迁移率只有有限的影响。甲醇能够溶解一部分烷氧基硅烷，但至少有一半的链不受加入甲醇的影响。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C2, 1.9.4, page 146 - 147
  作者：

  DOI：——

  日期：——