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Keywords:

  • ab initio calculations;
  • dehydrobenzenes;
  • IR spectroscopy;
  • matrix isolation;
  • radicals
Thumbnail image of graphical abstract

The first representative of the tridehydrobenzenes that could be spectroscopically characterized and isolated in cryogenic matrices is 1,2,3-tridehydrobenzene. Comparison of the measured IR spectrum with high-level ab initio calculations allows the assignment of a 2A1 ground state to this unusual radical.