Table 1 Computational and experimental kinetic isotope effects.
From: Controlled partial transfer hydrogenation of quinolines by cobalt-amido cooperative catalysis
KIE | H3N·BD3 | D3N·BH3 | D3N·BD3 |
---|---|---|---|
Cal.(TS1) | 1.67 | 3.57 | 6.01 |
Cal.(TS2C1) | 3.21 | 1.36 | 4.35 |
Cal.(TS1’) | 0.50 | 6.09 | 3.06 |
Exp. | 1.55 | 3.63 | 5.73 |