Unveiling CF3SOCH3: synthesis, spectroscopic characterization, and conformational behavior of S-(trifluoromethyl)-O-(methyl) thioperoxide

The elusive S-(trifluoromethyl)O-(methyl) thioperoxide, CF3SOCH3, and its methyl deuterated isotopologue, CF3SOCD3 were prepared for the first time via the reaction between CF3SCl and CH3OH or CD3OH, respectively. The novel compounds were thoroughly characterized using vibrational (FTIR and FT-Raman) and multinuclear NMR (1H, 19F and 13C) spectroscopies. The vibrational properties of this thioperoxide were assigned through detailed analysis of its infrared (gas-phase and matrix-isolated) and Raman spectra supported by quantum chemical calculations. CF3SOCH3 was isolated in the Ar matrix at cryogenic temperatures and exposed to broadband UV irradiation in the 225–800 nm region. The photochemical stability of the compound has thus been determined in the UV-vis range.

Palabras clave: Synthesis , Spectroscopy , Theoretical Calculations

Ver el registro completo

Archivos asociados

Tamaño: 1.793Mb

Formato: PDF

Solicitar

Licencia

Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)

Identificadores

URI: http://hdl.handle.net/11336/279224

URL: https://xlink.rsc.org/?DOI=D5NJ03169A

DOI: http://dx.doi.org/10.1039/D5NJ03169A

Colecciones

Articulos(CEQUINOR)
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"

Citación

Cuaquira Reina, Marlene; Espitia Cogollo, Edeimis; Erben, Mauricio Federico; Ulic, Sonia Elizabeth; Beckers, Helmut; et al.; Unveiling CF3SOCH3: synthesis, spectroscopic characterization, and conformational behavior of S-(trifluoromethyl)-O-(methyl) thioperoxide; Royal Society of Chemistry; New Journal of Chemistry; 49; 38; 9-2025; 16635-16642

Altmétricas