Complexes

Structure electronic of Ru

valence electrons

α-RuCl2(Dazpy)2

Structure

(4dyz)1.89

(4dxy)1.68

(4d)1.37

(4dxz)0.95

(4dx² − y²)1.19

(5s)0.27

7.35

Energy

−0.221

−0.215

−0.202

−0.199

−0.187

0.208

β-RuCl2(Dazpy)2

Structure

(4dxy)1.94

(4dxz)1.70

(4d)1.36

(4dyz)1.09

(4dx² − y²)0.99

(5s)0.28

7.36

Energy

−0.237

−0.224

−0.212

−0.204

−0.186

0.231

γ-RuCl2(Dazpy)2

Structure

(4dx² − y²)1.67

(4d)1.69

(4dyz)1.50

(4dxy)1.09

(4dxz)1.14

(5s)0.28

7.37

Energy

−0.227

−0.212

−0.206

−0.199

−0.188

0.237

δ-RuCl2(Dazpy)2

Structure

(4dyz)1.93

(4dxy)1.81

(4dxz)1.57

(4d)0.89

(4dx² − y²)0.91

(5s)0.27

7.38

Energy

−0.222

−0.217

−0.215

−0.181

−0.170

0.217

ε-RuCl2(Dazpy)2

Structure

(4dx² − y²)1.67

(4dxz)1.38

(4d)1.63

(4dxy)1.10

(4dyz)1.31

(5s)0.27

7.36

Energy

−0.222

−0.213

−0.212

−0.193

−0.192

0.221

RuCl3.3H2O

Structure

(4dxy)1.99

(4dyz)1.99

(4dxz)1.21

(4d)0.83

(4dx² − y²)0.76

(5s)0.28

7.06

Energy

−0.290

−0.288

−0.263

−0.249

−0.232

0.235

Ru atom

Structure

(4dxy)2

(4dxz)2

(4dyz)2

(4d)1.51

(5s)0.49

(4dx² − y²)0

8

Energy

−0.200

−0.181

−0.180

−0.148

−0.119

−0.100