Left: Models of the PAH-C₆₀ tris-adducts after geometry optimization for the PAHs 2H-indene (3InC₆₀, a-b), indenyl (3IylC₆₀, c-e) and anthracene (3AnC₆₀, f-g). In the case that the tris-adduct has different configurations (isomers), the most stable structure is highlighted with a red asterisk. Right: The theoretical IR spectra corresponding to the tris-adducts structures a-g presented in the left panel. In all panels, the red dashed spectra correspond to the bis-adduct analogous, while the blue dashed lines mark the four strongest C₆₀ features (~7.0, 8.5, 17.4 and 18.9 μm). Note that the convolution parameters are the same as in Figures 4 and 5.