Table 1.
Overview of reactions included in the model for the (de-)hydrogenation of C60 and 
, their respective reaction rate coefficient estimates, and the assumptions made in order to obtain the estimates.
| Reaction | Assumptions | Rate coefficient | Literature comparison |
|---|---|---|---|
 |
Cross section of σ = 2 × 10−18 cm2 | 1.4 × 10−9 s−1 | |
 |
Langevin collision model | 8.8 × 10−8 cm3 s−1 | |
| C60Hi + H → C60Hi + 1 | Hard-sphere collision rate at T = 100 K | 7.4 × 10−10 cm3 s−1 | |
| C60H + hν → C60 + H | E0 = 1.9 eV, σ = 3 × 10−16 cm2 | 1.5 × 10−7 s−1 | ≲2 × 10−7 s−1(1) |
| C60H2 + hν → C60H + H | E0 = 3.3 eV, σ = 3 × 10−16 cm2 | 1.6 × 10−10 s−1 | |
| C60H2 + hν → C60 + H2 | E0 = 4.3 eV, σ = 3 × 10−16 cm2 | 7.7 × 10−16 s−1 | |
 |
Cross section of σ = 1.5 × 10−16 cm2 | 1.8 × 10−8 s−1 | 2 × 10−8 s−1(2) |
 |
Assume experimental rate naphtalene | 1.7 × 10−7 cm3 s−1 | |
 |
Langevin collision model | 1.9 × 10−9 cm3 s−1 | > 10−10 cm3 s−1(3)(4) |
 |
E0 = 3.1 eV, σ = 3 × 10−16 cm2 | 1.6 × 10−9 s−1 | ≲2 × 10−9 s−1(1) |
 |
E0 = 3.1 eV, σ = 3 × 10−16 cm2 | 1.6 × 10−9 s−1 |
Notes. The reactions highlighted in grey concern the charge balance; the rest are hydrogen addition or loss reactions.
Estimated from the modelling results on PAHs in Fig. 10 by Le Page et al. (2001)
Estimated from Fig. 12 by Le Page et al. (2001).
Experimental work on 
by Petrie et al. (1995).
Experimental work on PAHs by Demarais et al. (2014).
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