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Updated: Jan 25, 2026

Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry
Published on: March 1, 2020
How well can we predict cluster fragmentation inside a mass spectrometer?
Monica Passananti1, Evgeni Zapadinsky1, Tommaso Zanca1
1Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, FI-00014, Finland. monica.passananti@helsinki.fi.
Molecular cluster fragmentation in mass spectrometry causes uncertainty. This study models sulfuric acid cluster fragmentation, crucial for new particle formation, to predict fragmentation extent accurately.
Area of Science:
- Atmospheric Chemistry
- Chemical Physics
- Mass Spectrometry
Background:
- Fragmentation of molecular clusters in mass spectrometers introduces uncertainty in chemical analyses.
- Sulfuric acid clusters are key intermediates in atmospheric new-particle formation.
Purpose of the Study:
- To measure the fragmentation of sulfuric acid clusters relevant to atmospheric new-particle formation.
- To develop a predictive model for the fragmentation of these molecular clusters.
Main Methods:
- Experimental measurement of sulfuric acid cluster fragmentation.
- First-principles calculations for theoretical modeling.
Main Results:
- Quantitatively predicted the extent of fragmentation for sulfuric acid clusters.
- Established a novel model for predicting molecular cluster fragmentation.
Conclusions:
- The developed model accurately predicts fragmentation, reducing uncertainty in mass spectrometry applications.
- Improved understanding of sulfuric acid cluster behavior in atmospheric processes.
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