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. 2022 Mar 31;13(16):4623–4634. doi: 10.1039/d2sc00630h

Percentage variation (ε1 = [(ΔEoi − ΔEoiref)/ΔEoiref] × 100; ε2 = [(ΔEoi2 − ΔEoi2ref)/ΔEoi2ref] × 100) with respect to a reference value (values for I and IC) of the orbital interaction associated to ΔEoi 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