Complexes

Binding mode

Orbital interaction

E(2)/kJ∙mol−1

WBI

qCT/e

1 (H3GeF + benzene)

I

π(C=C)→σ*(F-Ge)

10.8

0.0146

0.0128

2 (H3GeF + pyridine)

I

π(C=C)→σ*(F-Ge)

8.3

0.0104

0.0087

3 (H3GeF + pyridine)

II

LP(N)→σ*(F-Ge)

81.5

0.1207

0.0657

4 (H3GeF + pyrrole)

I

π(C=C)→σ*(F-Ge)

18.7

0.0238

0.0227

5 (H3GeF + furan)

I

π(C=C)→σ*(F-Ge)

17.7

0.0184

0.0173

6 (H3GeF + furan)

II

LP(O)→σ*(F-Ge)

16.1

0.0236

0.0147

7 (H3GeF + thiophene)

I

π(C=C)→σ*(F-Ge)

14.6

0.0167

0.0179

8 (H3GeF + thiophene)

II

LP(S)→σ*(F-Ge)

17.4

0.0358

0.0266