Fragmentation Properties of Three-membered Ring Heterocyclic Molecules by Partial Ion Yield Spectroscopy: C2H4O and C2H4S

Authors

Wayne C. Stolte, University of Nevada, Las VegasFollow
I. Dumitriu, Western Michigan University
S-W Yu, Lawrence Livermore National LaboratoryFollow
Gunnar Ohrwall, MAX-lab, Lund UniversityFollow
Maria Novella Piancastelli, Uppsala UniversityFollow
Dennis W. Lindle, University of Nevada, Las VegasFollow

Document Type

Article

Publication Date

11-2009

Publication Title

Journal of Chemical Physics

Volume

131

Issue

12

First page number:

174306-1

Last page number:

174306-10

Abstract

We investigated the photofragmentation properties of two three-membered ring heterocyclic molecules, C₂H₄O and C₂H₄S, by total and partial ion yield spectroscopy. Positive and negative ions have been collected as a function of photon energy around the C 1s and O 1s ionization thresholds in C₂H₄O, and around the S 2p and C 1s thresholds in C₂H₄S. We underline similarities and differences between these two analogous systems. We present a new assignment of the spectral features around the C K-edge and the sulfur L₂,₃ edges in C₂H₄S. In both systems, we observe high fragmentation efficiency leading to positive and negative ions when exciting these molecules at resonances involving core-to-Rydberg transitions. The system, with one electron in an orbital far from the ionic core, relaxes preferentially by spectator Auger decay, and the resulting singly charged ion with two valence holes and one electron in an outer diffuse orbital can remain in excited states more susceptible to dissociation. A state-selective fragmentation pattern is analyzed in C₂H₄S which leads to direct production of S²⁺ following the decay of virtual-orbital excitations to final states above the double-ionization threshold.

Keywords

Atomic orbitals; Fragmentation reactions; Heterocyclic compounds; Organosulfur compounds

Disciplines

Analytical Chemistry | Atomic, Molecular and Optical Physics | Biological and Chemical Physics | Physical Chemistry

Language

English

Permissions

Copyright American Institute of Physics, used with permission

Publisher Citation

Stolte, W. C., I. Dumitriu, S-W. Yu, G. Öhrwall, M. N. Piancastelli, and D. W. Lindle. "Fragmentation properties of three-membered heterocyclic molecules by partial ion yield spectroscopy: CHO and CHS." The Journal of chemical physics 131 (2009): 174306.

Repository Citation

Stolte, W. C., Dumitriu, I., Yu, S., Ohrwall, G., Piancastelli, M. N., Lindle, D. W. (2009). Fragmentation Properties of Three-membered Ring Heterocyclic Molecules by Partial Ion Yield Spectroscopy: C2H4O and C2H4S. Journal of Chemical Physics, 131(12), 174306-1-174306-10.
https://digitalscholarship.unlv.edu/chem_fac_articles/10