English

Correlating parent-fragment relationships in cluster photoionization

Atomic and Molecular Clusters 2024-02-14 v1

Abstract

Fragment signals in ordinary mass spectra carry no label to identify their parent molecule. By correlating mass signals with rotational Raman spectra, we created a method to label each ion signal with the spectroscopic fingerprint of its neutral parent molecule. In data for a carbon disulfide molecular cluster beam, we assigned 28 distinct ionization and fragmentation channels based on their mass-correlated rotational fingerprints. Unexpected observations included the formation of energetic S2 and SCCS cationic fragments from the CS2-dimer cluster and a significant CS3 signal, uncorrelated to the dimer. The large number of observed channels revealed a surprising complexity that could only be addressed with correlated spectroscopy and computer-aided correlation analysis.

Cite

@article{arxiv.2402.08398,
  title  = {Correlating parent-fragment relationships in cluster photoionization},
  author = {Jong Chan Lee and Begüm Rukiye Özer and In Heo and Thomas Schultz},
  journal= {arXiv preprint arXiv:2402.08398},
  year   = {2024}
}

Comments

8 pages, 3 figures, 1 table

R2 v1 2026-06-28T14:47:14.879Z