Related Experiment Video
Updated: Mar 22, 2026
06:19
Fractionation of Lignocellulosic Biomass using the OrganoCat Process
Published on: June 5, 2021
4.7K
Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural
D B Jones1, R F da Costa2, M T do N Varella3
1School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001, Australia.
The Journal of Chemical Physics
|April 17, 2016
Summary
This study measures electron impact excitation cross sections for furfural, finding good agreement with theoretical models and similar compounds like furan. Results aid in building a comprehensive cross-section database for furfural.
Area of Science:
- Atomic and Molecular Physics
- Quantum Scattering Theory
Background:
- Furfural is an important organic compound with limited electron scattering data.
- Understanding electron-molecule interactions is crucial for various applications.
Purpose of the Study:
- To experimentally determine integral cross sections (ICSs) for electron impact excitation of furfural electronic states.
- To compare experimental results with theoretical calculations and data from similar molecules (furan).
- To contribute to a comprehensive cross-section database for furfural.
Main Methods:
- Absolute experimental measurement of integral cross sections (ICSs) for electron energies from 20-250 eV.
- Theoretical calculations using the independent atom model with screening corrected additivity rule (IAM-SCAR) formalism, including interference (I) terms.
- Schwinger multichannel method with pseudopotentials calculations for specific electronic states.
- Comparison with existing data for furan.
Main Results:
- Experimental ICSs for electron-furfural excitation were obtained.
- Good agreement was observed between experimental and theoretical (IAM-SCAR+I) results.
- Experimental data showed good agreement with previously reported data for furan.
- Schwinger multichannel calculations qualitatively matched experimental ICSs for specific bands.
- Total ionization cross sections were also presented.
Conclusions:
- The study provides valuable experimental and theoretical cross-section data for electron-furfural scattering.
- The findings validate theoretical models and highlight similarities with furan.
- The data contributes to a more complete understanding of electron-molecule interactions with furfural.
Related Concept Videos
01:29UV–Vis Spectroscopy: Woodward–Fieser Rules
29.4K
UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given structure by adding the...
29.4K
01:03Mass Spectrometry: Alcohol Fragmentation
4.7K
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...
4.7K
01:25Atomic Absorption Spectroscopy: Atomization Methods
1.8K
Atomic Absorption Spectroscopy (AAS) atomizes samples through flame atomization or electrothermal atomization. Flame atomization typically involves a nebulizer and spray chamber assembly to combine the sample with a fuel–oxidant mixture, creating a fine aerosol mist that enters a burner. Typically, the fuel and oxidant are combined in an approximately stoichiometric ratio. However, for atoms that are easily oxidized, a fuel-rich mixture may be more advantageous. Only about 5% of the...
1.8K
01:20Mass Spectrometry: Molecular Fragmentation Overview
6.2K
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...
6.2K
01:20¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)
1.8K
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
1.8K
01:09Mass Spectrometry: Aldehyde and Ketone Fragmentation
5.2K
In mass spectrometry, the fragmentation of aliphatic aldehydes and ketones generally occurs through three key mechanisms: α-cleavage, inductive cleavage, and the McLafferty rearrangement.
5.2K