相关实验视频
Updated: Jan 8, 2026

10:37
Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
11.7K
探讨质子醇的现场诱导碎片化:机械见解和稳定离子-溶剂集群
Philip Timmermann1, Anjita G C Paudel2, Gary Eiceman2
1Department of Sensors and Measurement Technology, Institute of Electrical Engineering and Measurement Technology, Leibniz University Hannover, 30167 Hannover, Germany.
Journal of the American Society for Mass Spectrometry
|December 15, 2025
概括
质子酒精,特别是初级酒精的场诱导碎片化,通过质子环胺部分发生. 背景水可以通过形成集群来稳定这些离子,防止碎片化.
科学领域:
- 分析化学 分析化学
- 物理化学 物理化学
- 计算化学的计算化学
背景情况:
- 在质谱学 (MS) 和离子运动谱学 (IMS) 中,场诱导的离子激活可以改变离子结构.
- 含基化合物,特别是酒精,会经历大量的水分损失 (H2O),但机制尚不清楚.
- 从初级酒精形成的初级碳酸是高度不稳定的,使碎片化研究复杂化.
研究的目的:
- 研究质子化初级和二级酒精中场诱导碎片化的动态.
- 阐明碎片化机制和能量学.
- 探索离子-溶剂相互作用的稳定效应.
主要方法:
- 结合了理论和实验方法.
- 密度函数理论 (DFT) 和反应动力学建模.
- 使用HiKE-IMS-MS和并联IMS设备进行碎片化测量.
主要成果:
- 碎片化机制涉及一次性和二次性酒精的质子化环烯 (PCP+) 部分.
- 初级酒精经历由PCP+部分促进的分子内SN2反应,产生二次碳酸.
- 质子醇具有很高的碎片化率,表明显著的不稳定性,但中性水可以形成稳定性离子溶剂集群.
结论:
- PCP+部分是理解酒精碎片化动态的关键.
- 场诱导的碎片化是影响质子醇稳定性的重要因素.
- 离子溶剂聚类,特别是用水,为MS/IMS中的不稳定离子提供了潜在的稳定策略.
相关概念视频
Mass Spectrometry: Alcohol Fragmentation
4.4K
Alcohols (R-OH) ionize to lose one non-bonded electron from the oxygen atom, forming molecular ions. Due to their tendency to fragment rapidly, the intensity of the molecular ion peak in the mass spectrum is weak or sometimes absent. The fragmentation patterns for alcohols occur in two ways, i.e. ⍺-cleavage and dehydration. During ⍺-cleavage, the bond at the ⍺-position adjacent to the hydroxyl group cleaves to give a resonance-stabilized cation and a radical. However, intramolecular...
4.4K
Mass Spectrometry: Molecular Fragmentation Overview
5.3K
The ionization of a molecule into a molecular ion inside the mass spectrometer causes instability in the molecule's structure due to the loss of an electron. This eventually leads to the fragmentation or breaking of some bonds in the molecule. The fragmentation occurs predominantly at specific bonds to yield relatively stable fragments.
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can occur at...
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can occur at...
5.3K
Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration
9.4K
The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
9.4K
Solvating Effects
8.4K
An understanding of the solvating effect helps rationalize the relation between solvation and acidity of the compound. In addition, this also explains the relative stability of conjugate bases for compounds with different pKa values. This lesson details, in-depth, the principle of solvating effects. The strength of an acid and the stability of its corresponding conjugate base are determined using pKa values. This observed relationship is a consequence of solvation, which is the interaction...
8.4K
Acid Halides to Esters: Alcoholysis
3.8K
Alcoholysis is a nucleophilic acyl substitution reaction in which an alcohol functions as a nucleophile. Acid halides react with alcohol to produce esters. The mechanism proceeds in three steps:
3.8K
Acid-Catalyzed Hydration of Alkenes
16.9K
Alkenes react with water in the presence of an acid to form an alcohol. In the absence of acid, hydration of alkenes does not occur at a significant rate, and the acid is not consumed in the reaction. Therefore, alkene hydration is an acid-catalyzed reaction.
16.9K

