Are disulfide bonds resilient to double ionization? Insights from coincidence spectroscopy and ab initio calculations.

ABSTRACT: Disulfide bonds (-S-S-) are commonly present in biomolecules and have also been detected in astrophysical environments. In this work, the stability of the disulfide bond towards double ionization is investigated using quantum chemical calculations and photoelectron photoion photoion coincidence (PEPIPICO) spectroscopy measurements on the prototype dimethyl disulfide (CH₃SSCH₃, DMDS) molecule. The experiments were performed using high energy synchrotron radiation photons before (2465.0 eV) and at (2470.9 eV) the first sigma resonance around the S 1s edge. We applied the multivariate normal distribution analysis to identify the most plausible ionic fragmentation mechanisms from the doubly ionized DMDS. By mapping the minimum energy structures on the dicationic C_2</

SUBMITTER: Varas LR 

PROVIDER: S-EPMC9056841 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature