Anisotropy parameters from shapes of ion-ion correlation features of fragmenting molecules

When a molecule loses two electrons, Coulomb repulsion makes the resulting doubly charged system likely to fragment into two singly charged ions. These monocations can be detected in a correlated fashion using multiplex time-of-flight spectroscopy. The island shapes in the ion-ion coincidence maps derived from such two-body dissociations contain detailed information on the physical processes underlying the fragmentation. Here, a simple method is presented where a fit function is used to determine the anisotropy parameter β of the molecular distribution from the peak shape of the time-of-flight difference of the two ions. The validity of the method is demonstrated by performing fits to simulated peak shapes, recovering the β value of the input angular distribution, and by comparison of experimental peak shapes to β values known from the literature.

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Journal
Scientific Reports
Published
2024-11-20
DOI
https://doi.org/10.1038/s41598-024-80014-z
Primary Topic
Mass Spectrometry Techniques and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Anisotropy parameters from shapes of ion-ion correlation features of fragmenting molecules

Emelie Olsson, S. D. Price, Richard J. Squibb, Marco Parriani et al.
Scientific Reports
Mass Spectrometry Techniques and Applications
article

Anisotropy parameters from shapes of ion-ion correlation features of fragmenting molecules

Emelie Olsson, S. D. Price, Richard J. Squibb, Marco Parriani, Veronica Ideböhn, Måns Wallner, R. Feifel, Michael A. Parkes, J. H. D. Eland
article en

Abstract

When a molecule loses two electrons, Coulomb repulsion makes the resulting doubly charged system likely to fragment into two singly charged ions. These monocations can be detected in a correlated fashion using multiplex time-of-flight spectroscopy. The island shapes in the ion-ion coincidence maps derived from such two-body dissociations contain detailed information on the physical processes underlying the fragmentation. Here, a simple method is presented where a fit function is used to determine the anisotropy parameter β of the molecular distribution from the peak shape of the time-of-flight difference of the two ions. The validity of the method is demonstrated by performing fits to simulated peak shapes, recovering the β value of the input angular distribution, and by comparison of experimental peak shapes to β values known from the literature.

Scientific ReportsVol. 14(1)
University of Perugia (IT), University of Oxford (GB), University College London (GB), University of Gothenburg (SE)
Knut och Alice Wallenbergs Stiftelse, Vetenskapsrådet, Göteborgs Universitet
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Mass Spectrometry Techniques and Applications
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