Complexes

B3lyp

VIP_T1

AEA(O₂)

VIP_T1 + AEA(O₂)

α-RuCl₂(Azpy)₂

-

−0.59

-

$\text{Fac-Ru}{\left(\text{Azpy}\right)}_3^{2+}$

0.38

−0.21

$\text{Mer-Ru}{\left(\text{Azpy}\right)}_3^{2+}$

-

-

$\text{Ru}{\left(\text{Bipy}\right)}_3^{2+}$

-

-

NAMI

−2.43

−3.02

NAMI-A

−1.85

−2.44

RuCl₃Terpy

−1.18

−1.77

RuCl₃(H₂O)₂Gly

−2.31

−2.90

RuCl₃(H₂O)₃

−1.93

−2.52