Group

Complexes

Electronic Structure of Ru

Valence electrons

Ru(II)

α-RuCl₂(Azpy)₂

Structure

(4d_x²-y²)^1.68

(4d_yz)^1.51

(4d_z²)^1.45

(4d_xz)^1.18

(4d_xy)^1.25

(5s)^0.27

(5p_x)^0.21

(5p_y)^0.20

(5p_z)^0.23

7.98

Energy

−0.29

−0.27

−0.25

−0.22

−0.23

0.34

0.35

0.35

0.33

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

Structure

(4d_x²−y²)^1.41

(4d_yz)^1.20

(4d_z²)^1.91

(4d_xz)^1.20

(4d_xy)^1.41

(5s)^0.23

(5p_x)^0.16

(5p_y)^0.16

(5p_z)^0.12

7.81

Energy

−0.47

−0.43

−0.52

−0.43

−0.47

0.04

0.90

0.09

0.04

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

Structure

(4d_x²−y²)^1.46

(4d_yz)^1.08

(4d_z²)^1.61

(4d_xz)^1.47

(4d_xy)^1.53

(5s)^0.23

(5p_x)^0.17

(5p_y)^0.12

(5p_z)^0.15

7.81

Energy

−0.47

−0.42

−0.49

−0.48

−0.48

0.04

0.09

0.06

0.08

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

Structure

(4d_x²−y²)^1.44

(4d_yz)^1.18

(4d_z²)^1.93

(4d_xz)^1.18

(4d_xy)^1.44

(5s)^0.18

(5p_x)^0.14

(5p_y)^0.14

(5p_z)^0.11

7.73

Energy

−0.43

−0.39

−0.48

−0.39

−0.43

0.18

0.13

0.13

0.08

Ru(III)

NAMI

Structure

(4d_x²−y²)^0.91

(4d_yz)^1.98

(4d_z²)^1.11

(4d_xz)^0.94

(4d_xy)^1.94

(5s)^0.29

(5p_x)^0.28

(5p_y)^0.20

(5p_z)^0.28

7.93

Energy

−0.05

−0.19

−0.09

−0.08

−0.18

0.48

0.50

0.44

0.53

NAMI-A

Structure

(4d_x²−y²)^0.97

(4d_yz)¹

(4d_z²)^1.14

(4d_xz)^1.94

(4d_xy)^1.92

(5s)^0.32

(5p_x)^0.24

(5p_y)^0.30

(5p_z)^0.29

8.16

Energy

−0.10

−0.12

−0.13

−0.22

−0.23

0.34

0.43

0.49

0.47

RuCl₃Terpy

Structure

(4d_x²−y²)^0.94

(4d_yz)^1.2

(4d_z²)^0.91

(4d_xz)^1.91

(4d_xy)^1.92

(5s)^0.28

(5p_x)^0.29

(5p_y)^0.19

(5p_z)^0.24

7.83

Energy

−0.20

−0.25

−0.22

−0.33

−0.33

0.4

0.39

0.28

0.38

RuCl₃(H₂O)₂Gly

Structure

(4d_x²−y²)^0.92

(4d_yz)^1.72

(4d_z²)^1.25

(4d_xz)^1.06

(4d_xy)^1.75

(5s)^0.27

(5p_x)^0.22

(5p_y)^0.22

(5p_z)^0.20

7.62

Energy

−0.24

−0.34

−0.28

−0.25

−0.35

0.23

0.33

0.31

0.30

RuCl₃(H₂O)₃

Structure

(4d_x²−y²)^0.75

(4d_yz)^1.23

(4d_z²)^0.80

(4d_xz)^1.96

(4d_xy)^1.98

(5s)^0.27

(5p_x)^0.26

(5p_y)^0.19

(5p_z)^0.22

7.65

Energy

−0.23

−0.38

−0.24

−0.30

−0.39

0.27

0.34

0.23

0.30