Related Experiment Video
Updated: May 5, 2026

11:00
Determination of the Gas-phase Acidities of Oligopeptides
Published on: June 24, 2013
10.3K
On the structure of protonated methane
A J Heck1, L J de Koning, N M Nibbering
1Institite of Mass Spectrometry, University of Amsterdam, Nieuwe Achtergracht 129, 1018 WS, Amsterdam, The Netherlands.
Journal of the American Society for Mass Spectrometry
|November 19, 2013
Summary
Protonated methane reactivity with ammonia reveals distinct hydrogen behaviors. This study used Fourier transform-ion cyclotron resonance to explore chemical ionization gas effects on molecular structure.
Area of Science:
- Physical Chemistry
- Chemical Physics
- Isotope Chemistry
Background:
- Understanding ion-molecule reactions is crucial for chemical analysis.
- Protonated methane and its deuterated analogs are key species in ion chemistry.
- The role of chemical ionization gas in influencing reaction pathways requires further investigation.
Purpose of the Study:
- To investigate the reactivity of protonated perdeuteromethane and deuteronated methane with ammonia.
- To elucidate the mechanisms of proton and deuteron transfer in these systems.
- To explore the influence of chemical ionization gas on the structural dynamics of protonated methane.
Main Methods:
- Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometry.
- Chemical ionization (CI) ion source.
- Variable pressure studies.
Main Results:
- Proton and deuteron transfer reactions with ammonia showed chemically distinguishable hydrogens.
- The observed chemical behavior of protonated methane aligns with a theoretically predicted Cs symmetric structure.
- Fast interconversion of protonated methane structures was observed, influenced by the chemical ionization gas.
Conclusions:
- The study provides insights into the reactivity and structural dynamics of protonated methane and its isotopologues.
- Chemically distinct hydrogens in protonated methane were identified through reactions with ammonia.
- Chemical ionization gas plays a significant role in modulating the structural dynamics of ions.
Related Concept Videos
Inductive Effects on Chemical Shift: Overview
2.3K
The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at approximately 1.7, 1.2 and 0.7 ppm, while the proton signal from methane appears at 0.23 ppm. An electronegative substituent, such as chlorine, withdraws the electron density from the protons, increasing their chemical shift. Progressive substitution of the hydrogens in methane by chlorine shifts the proton signals increasingly downfield, to 3.05 ppm in...
2.3K
Mass Spectrum
5.3K
A mass spectrum is the graphical representation of the relative abundance of the charged fragments in an analyte plotted against their mass-to-charge ratio (m/z). The plot's x-axis represents the ratio of the mass of the charged fragment to the number of charges it carries. The y axis of the plot represents the relative abundance of each charged species. The relative abundance is calculated from the signal intensity of each charged species recorded at the detector. The most intense signal (the...
5.3K
Hybridization of Atomic Orbitals I
51.7K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
51.7K
Proton (¹H) NMR: Chemical Shift
3.8K
Organic molecules primarily contain carbon and hydrogen atoms. While all the hydrogen isotopes are NMR-active, protium or hydrogen-1 is the most abundant. It has a significant energy separation between its nuclear spin states due to its large gyromagnetic ratio. As per Boltzmann's distribution, an increase in the energy separation implies a greater excess population of nuclei available for excitation, resulting in a strong NMR absorption signal.
Absorption signals of all the protium nuclei...
Absorption signals of all the protium nuclei...
3.8K
Structure of Alkanes
27.3K
The formation of carbon-carbon bonds leading to the creation of the carbon chain is the basis of organic chemistry. August Kekulé and Archibald Scott Couper independently developed this idea of carbon chain formation.
Hydrocarbons are the simplest organic compounds composed of carbons and hydrogens. Based on the bond order between carbons, the hydrocarbons are further classified into alkanes, alkenes, and alkynes.
Alkanes are the simplest hydrocarbons with sp3 hybrid carbon atoms....
Hydrocarbons are the simplest organic compounds composed of carbons and hydrogens. Based on the bond order between carbons, the hydrocarbons are further classified into alkanes, alkenes, and alkynes.
Alkanes are the simplest hydrocarbons with sp3 hybrid carbon atoms....
27.3K
Molecular Structure and Acidity
15.0K
An acid can be deprotonated to form a conjugate base or an anion. If the produced anion is more stable, then the acid is stronger. On the contrary, if the anion is unstable, then the acid is weaker. Hence, to determine the acidity of the compound, the stability of its conjugate base is studied using various factors.
The size effect explains the change in atomic size on acidity. When comparing the acids formed from elements that belong to the same column in the periodic table, their atomic sizes...
The size effect explains the change in atomic size on acidity. When comparing the acids formed from elements that belong to the same column in the periodic table, their atomic sizes...
15.0K

