Related Experiment Video
Updated: May 5, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
Fragmentation of 1- and 3-methoxypropene ions another part of the C4H 8O (+•) potential energy surface
J R Cao1, M George, J L Holmes
1Department of Chemistry, University of Ottawa, 32 George Glinski, K1N # 6NS, Ottawa, Ontario, Canada.
Abstract:
The fragmentation mechanisms of metastable ionized 1- and 3-methoxypropene have been examined in detail by using ionization and appearance energy measurements, metastable ion and collisional activation mass spectra, and a variety of isotopically labeled molecules. These metastable C4H8O(+•) ions fragment by loss of H; CH3, and H2CO, and the experimental observations allowed the construction of the potential energy diagram which describes their interconversion and the participation of four other distonic and carbene C4H8O(+•) ions. It was found that these two methyl alkenyl ether ions had no common reaction channel with either the 2-methoxy isomer or with any of the alcohol, keto, or enol C4H8O(n+•) isomers which previously have been extensively studied.
More Related Videos
07:53Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry
Published on: March 1, 2020
11:27X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050
Published on: May 13, 2020
Related Concept Videos
Mass Spectrometry: Molecular Fragmentation Overview
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...
Mass Spectrometry: Cycloalkane Fragmentation
For example, cyclohexane molecular ions have a mass-to-charge ratio (m/z) of 84, which tends to produce a stronger signal than linear alkanes like hexane. This stability comes from...
Mass Spectrometry: Carboxylic Acid, Ester, and Amide Fragmentation
For example,...
Mass Spectrometry: Alcohol Fragmentation
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than...
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...