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

Table 3.

Calculated complexation energies E and G 298 between trimethylamine borane and magnesocenophanes 1 ad (Figure 7, right).

Compound

E[a]

[n][b]

E [kJ mol−1]

G 298 [kJ mol−1]

1 a

C

1

−81.4

−32.7

1 b

Si

1

−64.5

−16.7

1 c

C

2

−51.6

−3.0

1 d

Si

2

−30.9

+15.1

[a] E=bridging atom(s) of ansa bridge; [b] n=number of bridging atom(s) in ansa bridge.