Formation of HCO and HCS Ions in the Photodissociation of CHOC(S)SCH under VUV Synchrotron Radiation.

J Phys Chem A

CEQUINOR (UNLP-CONICET, CCT La Plata, associated with CIC PBA). Departamento de Química, Facultad de Ciencias Exactas , Universidad Nacional de la Plata . Boulevard 120 e/ 60 y 64 No 1465 CP 1900 , La Plata , República Argentina.

Published: August 2019

AI Article Synopsis

  • Researchers used synchrotron-based techniques to study the electronic structure and ionization of dimethyl xanthate (CHOC(S)SCH) in the S 2p region.
  • The investigation focused on the most stable synperiplanar conformer and leveraged tunable synchrotron radiation to excite sulfur atoms at various energy levels.
  • Findings suggest that dimethyl xanthate can be a useful laboratory precursor for ionic species similar to those found in the interstellar medium, notably formyl and thioformyl cations (HCO and HCS).

Article Abstract

Synchrotron-based total ion yield and photoelectron-photoion-coincidence spectra have been applied to investigate the electronic structure and the dissociative ionization of gaseous ,-dimethyl xanthate, CHOC(S)SCH, in the shallow-core S 2p region. The spectral assignment and the electronic structure are interpreted in terms of the most stable synperiplanar conformer in the symmetry point group. The use of tunable synchrotron radiation allows for a selective excitation of sulfur atoms at different photon energy values, including resonance transitions and ionization around the S 2p level. The fragmentation patterns show that the title molecule is well suited as a laboratory precursor of ionic species found in the interstellar medium, especially formyl and thioformyl cations, HCO and HCS, respectively.

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Source
http://dx.doi.org/10.1021/acs.jpca.9b03670DOI Listing

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