Research Article

A Quantum-Chemical DFT Approach to Elucidation of the Chirality Transfer Mechanism of the Enantioselective Suzuki–Miyaura Cross-Coupling Reaction

Table 1

Comparison of the key geometrical parameters of complexes 5c, VII, and .

Parameter
5cVII

[Å]2.4172.4072.266
[Å]1.8711.8341.877
[°]103.17106.08106.73
[°]64.7383.7181.15
[°]113.88106.35105.19