Percentage variation (ε1 = [(ΔEoi1β − ΔEoi1βref)/ΔEoi1βref] × 100; ε2 = [(ΔEoi2 − ΔEoi2ref)/ΔEoi2ref] × 100) with respect to a reference value (values for I and IC) of the orbital interaction associated to ΔEoi1β and ΔEoi2 for complexes [tBu3PAuI]–[tBu3PAuVI] and ΔEoi1 and ΔEoi2 for complexes [tBu3PAuIC]+–[tBu3PAuVIC]+.
ε 1 | ε 2 | |||
---|---|---|---|---|
Aluminyl | Carbene | Aluminyl | Carbene | |
I/IC | 0.0 | 0.0 | 0.0 | 0.0 |
II/IIC | 0.0 | 6.9 | 0.0 | −14.4 |
III/IIIC | 1.7 | 8.6 | 2.3 | −11.3 |
IV/IVC | 0.3 | 0.0 | 2.3 | −7.2 |
V/VC | 1.7 | 2.1 | 2.3 | 2.1 |
VI/VIC | 2.7 | 6.4 | 9.3 | 22.7 |