Computational study on C–B homolytic bond dissociation enthalpies of organoboron compounds

@inproceedings{Wang2017ComputationalSO,
  title={Computational study on C–B homolytic bond dissociation enthalpies of organoboron compounds},
  author={Jiaoyang Wang and Wenrui Zheng and Lanlan Ding and Yingxing Wang},
  year={2017}
}
Based on many transition-metal-catalyzed Suzuki–Miyaura cross-coupling reactions of organoboron compounds in which C–B cleavages are involved, it is meaningful to understand one of the thermodynamic properties of the C–B bond, the strength of the C–B bond, which can be measured using homolytic bond dissociation enthalpies (BDEs). To this end, we first calculated 64 C–B BDEs of organoboron compounds by theoretical methods including composite high-level ab initio methods of G3, G4, G3B3, CBS-Q… CONTINUE READING