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Table 2

Dissociation parameters considered in our work.

NH

H-Loss H2-Loss
Ion. State Eact (eV) ΔS (J/K/mol) Ion. State Eact (eV) ΔS (J/K/mol)


Even number of H atoms All 4.6 44.8 Even number of H atoms All 3.52 53.1
Odd number of H atoms All 4.1 55.6 greater than Nsolo
N H >

H-Loss
Ion. State Eact (eV) ΔS (J/K/mol)

Extra H atom in a duo ring Z < 0 1.4 55.6
Z = 0 1.4 55.6
Z > 0 1.55 55.6

Notes. The upper table shows the activation energies, Eact, and change in entropy, ΔS, for the normal-to-dehydrogenated states (NH), while the bottom table shows the dissociation parameters for the superhydrogenated states (). Nsolo corresponds to the number of solo H atoms of each molecule, i.e., 0 for coronene, 6 for circumcoronene and 12 for circumcircumcoronene. Dissociation parameters for normal-to-dehydrogenated molecules are taken from Ling et al. (1995). The activation energies considered for the H-loss from superhydrogenated molecules are taken from the theoretical work of Bauschlicher & Ricca (2014). These corresponds to the energies required to remove the extra H atom in a duo ring.

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