Comparison of the calculated values and experimental values of BDE for the carbon–carbon bond.
| Species | E cal/kJ mol−1 | E exp/kJ mol−1 |
|---|---|---|
|
388 | 384.9 ± 8.4 |
|
372 | 379.9 ± 6.3 |
|
419 | 426.8 ± 4.2 |
|
299 | 313.8 ± 8.4 |
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