Peculiarities in the infrared emission of polycyclic aromatic hydrocarbon-C60 adducts

Open Access

Fig. E.1

Left: Representation of the 1TnC₆₀ mono-adduct models in their asymmetric $(1 {T n C}_{60}^{asym})$ $\[\left(1 \mathrm{TnC}_{60}^{\text {asym}}\right)\]$ and symmetric $(1 {T n C}_{60}^{sym})$ $\[\left(1 \mathrm{TnC}_{60}^{\text {sym}}\right)\]$ binding configurations. The corresponding Gibbs free energies of formation are indicated. Right: The theoretical IR spectra for each 1TnC₆₀ mono-adduct configuration.

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