Table 1.
Calculated thermodynamic parameters at the G3(MP2)B3 level of theory for exemplificative photochemical reactions. These are classified as occurring either via direct irradiation (P), or under photosensitized (PS) or photocatalytic (PC) conditions (see Scheme 6).
| Entry | Reaction | Class of Reaction | ΔGEXC a | ΔG a |
|---|---|---|---|---|
| (λEXC) b | ( ΔH) a | |||
| 1 [28] |  |
PS/PC | 53 (540) | −80.24 (−80.74) |
| 2 [30] |  |
PS | 53 (540) | −11.52 (−25.16) |
| 3 [31] |  |
P | 94 (304) | −3.05 (−13.99) |
| 4 [32] |  |
PC | 73 (392) | −11.22 (−22.05) |
| 5 [15,33] |  |
PC | 73 (392) | −17.00 (−28.89) |
| 6 [34] |  |
PS | 92 (311) | −18.34 (−31.13) |
| 7 [35] |  |
P | 95 (301) | −19.31 (−32.89) |
| 8 [36] |  |
P | 77 (371) | −18.55 (−32.75) |
| 9 [37] |  |
P | 95 (301) | −17.91 (−6.15) |
| 10 [38] |  |
PC c | 58 (493) | −6.91 (−20.86) |
| 11 [39] |  |
P | 119 (240) | 3.74 (0.27) |
| 12 [40] |  |
PS | 87 (330) | 24.63 (24.28) |
| 13 [41] |  |
PS | 92 (311) | 19.86 (18.43) |
| 14 [42] |  |
PC | 89 (321) | −8.72 (−12.90) |
| 15 [43] |  |
P | − | −17.92 (−31.43) |
| 16 [44] |  |
P | 94 (304) | 20.75 (7.53) |
| 17 [45] |  |
PS | 84 (340) | 8.71 (8.16) |
| 18 [46] |  |
PS | 92 (311) | 9.60 (9.57) |
| 19 [47] |  |
P | − | −24.25 (−24.71) |
| 20 |  |
- | − | −107.2 (−113.5) |
| 21 |  |
- | − | −193.6 (−193.9) |
| 22 [48] |  |
PC | 67 (427) | −5.77 (1.40) |
a Values expressed in kcal·mol−1; b Values expressed in nm; c In the examined reaction, compounds iPr2NEt and LiBF4 act as sacrificial reductant and Lewis acid, respectively.