Complexes

S1

S2

S3

S4

S5

S6

S7

S8

S9

S10

S11

S12

S13

S14

S15

S16

S17

S18

S19

S20

α-RuCl2(Azpy)2

E

1.126

1.182

1.622

1.647

1.703

1.884

1.959

1.978

2.125

2.505

2.512

2.679

2.879

2.935

2.943

3.051

3.139

3.203

3.217

3.269

1101.28

1048.99

764.4

752.72

727.9

657.91

633.01

626.7

583.5

494.85

493.54

462.73

430.59

422.47

421.23

406.34

393.98

387.04

385.44

379.25

f

0

0

0

0

0.007

0

0

0

0.002

0

0

0

0

0

0

0

0

0

0

0

Fac-Ru ( Azpy ) 3 2 +

E

1.798

1.798

1.801

2.528

2.55

2.550

2.587

2.587

2.637

2.637

2.639

2.655

2.694

2.694

2.738

2.933

2.9613

2.961

2.985

3.088

689.67

689.65

688.56

490.46

486.21

486.19

479.25

479.22

470.14

470.11

469.72

467.01

460.16

460.14

452.9

422.67

418.68

418.65

415.36

401.46

f

0

0

0

0

0.008

0.008

0

0

0

0

0

0.0145

0

0

0

0

0

0

0.002

0.006

Mer-Ru ( Azpy ) 3 2 +

E

1.722

1.822

1.923

2.345

2.410

2.429

2.472

2.511

2.592

2.597

2.628

2.639

2.660

2.751

2.777

2.907

2.9102

2.947

2.963

3.047

719.92

680.6

644.68

528.63

514.5

510.38

501.63

493.67

478.36

477.36

471.69

469.81

466.18

450.76

446.45

426.51

426.03

420.66

418.46

406.88

f

0

0

0

0

0.006

0

0.003

0

0

0

0.008

0

0

0

0

0

0

0

0

0

Ru ( Bipy ) 3 2 +

E

2.796

2.796

2.868

2.916

3.038

3.038

3.148

3.148

3.172

3.173

3.235

3.302

3.332

3.332

3.362

3.436

3.4362

3.458

3.459

3.461

443.43

443.4

432.32

425.14

408.11

408.09

393.88

393.84

390.82

390.69

383.3

375.46

372.1

372.07

360.83

360.83

360.81

358.42

358.42

358.24

f

0

0

0

0

0

0

0

0

0

0

0.002

0

0

0

0

0.001

0.0012

0.146

0.146

0