Early events in the photochemistry of 1,2,3-thiadiazole studied by ultrafast time-resolved UV-vis and IR spectroscopies

J Phys Chem A. 2011 Dec 22;115(50):14300-5. doi: 10.1021/jp2055238. Epub 2011 Nov 23.

Abstract

Photochemistry of 4-methyl-5-carboethoxy-1,2,3-thiadiazole (MCT) in solution was studied at room temperature using UV-vis and IR transient absorption spectroscopies (λ(ex) = 266 nm). Three deactivation pathways are discussed: thiirene formation, thioketene generation, and the internal conversion by repopulating MCT in the ground state. Ultrafast techniques show a very fast rise (<0.4 ps) of thiirene species in acetonitrile, possibly as a result of a rearrangement in the singlet excited state of MCT in concert with molecular nitrogen extrusion. The remarkable stability of thiirene in solution on a millisecond time scale is limited by the process of dimerization (thiirene-thiirene, thiirene-thioketene). NMR analysis permitted identification of stable photoproducts as 1,3-dithietane, 1,3-dithiole, and thiophene derivatives.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetonitriles / chemistry
  • Dimerization
  • Magnetic Resonance Spectroscopy
  • Molecular Structure
  • Nitrogen / chemistry
  • Photochemical Processes
  • Quantum Theory
  • Spectrophotometry, Infrared
  • Spectrophotometry, Ultraviolet
  • Thiadiazoles / chemistry*
  • Thiophenes / chemistry*
  • Time Factors

Substances

  • Acetonitriles
  • Thiadiazoles
  • Thiophenes
  • Nitrogen
  • acetonitrile