| S 2 | E A (kJ mol−1) | τ 0 (s) | τ c at 298 K (ns) | χ red 2 | ||
|---|---|---|---|---|---|---|
| (A) | C2 | 0.70 (0.87d) | 38.18 | 1.67 × 10−16 | 0.82 | 2.98b/6.78c |
| C4/5 | 0.76 | 38.27 | 1.67 × 10−16 | 0.85 | 3.60b/8.26c | |
| C1′ | 0.56a | 32.22 | 2.09 × 10−15 | 0.93 | 4.87b/12.34c | |
| CH3 anion | 0.64a | 18.97 | 6.58 × 10−14 | 0.14 | 1.06b/1.36c |
a
Fast methyl-group rotation was considered by modifying S2 with the factor 0.11 (S2 = 0.11SMet2). For methyl carbons SMet2 is given.
b
Reduced χ2 values for data at 9.35 T.
c
Reduced χ2 values for data at 16.45 T.
d
Fitted S2 with a C–H bond length of 1.13 Å.