Fig. 4: Comparisons of TPES and PES of C6H6 isomers.

Compilation of the TPES and PES of the various C6H6 isomers used to identify these products in the propargyl recombination reaction. For the experimental spectra, panels a, d, e, g and h correspond to spectra measured in the present work (shown in black). Panels b, c and i (dark grey curve) are TPES taken from Savee et al.42 Panel f is the PES from Heilbronner et al.45 In panel d), the experimental PES of Bischof et al.44 is displayed in dark grey for identification purposes. Calculated spectra are displayed in green or in blue (panels h) and i) to separate isomers VIII and XII). See section “Reference TPES” for details on reference spectra.