Table 2.
Calculated complexation energies E and G 298 between dimethylamine borane (2 a) and magnesocenophanes 1 a–d (Figure 7, center).
Compound |
E[a] |
[n][b] |
E [kJ mol−1] |
G 298 [kJ mol−1] |
---|---|---|---|---|
1 a |
C |
1 |
−116.5 |
−63.3 |
1 b |
Si |
1 |
−104.3 |
−53.2 |
1 c |
C |
2 |
−66.2 |
−17.8 |
1 d |
Si |
2 |
−61.4 |
−10.8 |
[a] E=bridging atom(s) of ansa bridge; [b] n=number of bridging atom(s) in ansa bridge.