Table 2. Data (in eV and in kcal mol–1 within Parentheses) to Assess the Ability of OG and G to Photoinduce the CPD Ring Opening, Experimental Absorption Band Origin (ES*), Computed AIP, Calculated Energy Change (ΔEred)*, Related to the Photoreduction (OG*/G* + CPD → OG•+/G•+ + CPD•–), and Energy Barrier (ΔEpc⧧) for the Overall Process OG*/G* to the CPD Split Product (See the Text)a.
| ES* (exp) | AIP(D) | (ΔEred)* | ΔEpc⧧ | |
|---|---|---|---|---|
| OG | 3.90 (90.0) | 5.48 | –0.84 (−19.4) | –0.74 (−17.1) |
| G | 4.10 (94.6) | 5.78 | –0.75 (−17.2) | –0.65 (−14.9) |
Calculations were performed in water solution.