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. 2020 Apr 28;26(28):6176–6184. doi: 10.1002/chem.202000106

Table 2.

Calculated complexation energies E and G 298 between dimethylamine borane (2 a) and magnesocenophanes 1 ad (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.