Theoretical Prediction for Synthetic Realization: Pyramidal Systems ClE[E′₄R₄] (E = B–Ga, E′ = C–Ge, R = SiMe₃, SiMe^tBu₂): A DFT Study

Table 1

Numbers of imaginary frequencies (NI) and relative energies towards closest minima (∆E, kcal mol⁻¹) for model pyramidal systems 1–9 ( symmetry).

Structure	E = B	E = Al	E = Ga
ClE[C4H4]	1, NI = 0	2, NI = 2, ∆E = 0.8	3, NI = 2, ∆E = 13.0
ClE[Si4H4]	4, NI = 3, ∆E = 2.2	5, NI = 3, ∆E = 11.1	6, NI = 3, ∆E = 10.5
ClE[Ge4H4]	7, NI = 3, ∆E = 12.9	8, NI = 3, ∆E = 26.5	9, NI = 3, ∆E = 41.3