Table 2. Ca binding energy (ECa), adsorbed H-H bond length (dHH) and energy (Eb) for H2 on six- and five- membered rings.
| C6H6 | C4H4N2 | C5H6B | C4H6B2 | C3H6B3 | C4H4O | C4H4S | C4H5N | |
|---|---|---|---|---|---|---|---|---|
| ECa (eV) | 0.07 | 0.73 | 3.02 | 3.13 | 4.80 | 0.19 | 0.11 | 0.25 |
| Eb (eV) | 0.11 | 0.15 | 0.01 | 0.35 | 0.02 | 0.20 | 0.27 | 0.35 |
| dHH (Å) | 0.785 | 0.774 | 0.753 | 0.805 | 0.755 | 3.778 | 3.846 | 3.680 |