Isomeric structures and visible electronic spectrum of the C7H3 radicals.

The 2-(buta-1,3-diynyl)cycloprop-2-yl-1-ylidene radical, a new three-membered ring chain with Cs symmetry, has been detected by electronic spectroscopy in the gas phase. The experimental investigation used a mass selective resonant two color two photon ionization technique coupled to a supersonic plasma source. Structures and relative stability energies of eight isomers of the C7H3 radical have been calculated. Based on the rotational analysis and the theoretical calculations, the observed spectrum is assigned as an 2A‘ ‘ ← X2A‘ electronic transition of this exotic chemical species. This result shows that such a plasma source is a powerful tool to investigate intermediates involved in hydrocarbon chemistry as in flames.