Table 1.
[n]Helicene |
ΔH ≠ [kcal mol−1] |
ΔS ≠ [cal K−1 mol−1] |
ΔG ≠ [kcal mol−1] at 298 K[a,b] |
t 1/2 [min] at 298 K |
---|---|---|---|---|
4 |
– |
– |
(4.0) |
– |
5 |
22.9 |
−4.1 |
24.1 (24.4) |
1.74×103[c] |
6 |
33.8 |
−5.3 |
35.4 (36.9) |
3.40×1011[d] |
7 |
40.4 |
−2.8 |
41.2 (42.0) |
6.10×1015[e] |
8 |
40.9 |
−3.4 |
41.9 (42.7) |
1.99×1016[e] |
9 |
41.6 |
−5.0 |
43.1 (44.2) |
1.51×1017[e] |
[a] ΔG ≠ in parenthesis are calculated values using DFT, see ref. [38]. [b] All the experimental activation parameters are calculated by re‐plotting (ln(k e/T) against 1/T) using the equation ln(k e/T)=ln(κk B/h)+ΔS ≠/R−(ΔH ≠/R)(1/T) with κ=0.5, see ref. [39]. [c] See ref. [36]. [d] See ref. [30]. [e] See ref. [37].