Table 5 Hole-electron analysis indices for S₀ → S₁ excitation (with highest f_osc) of compounds.

Excitation

S₀ → S₁

S₀ → S₁

S₀ → S₁

S₀ → S₁

S₀ → S₁

S₀ → S₁

λ (nm)

568.21

542.86

571.14

504.63

497.30

532.80

f_os

2.39

1.22

1.46

1.25

1.36

0.88

E (eV)

2.18

2.28

1.92

2.457

2.49

1.97

D (Å)

0.85

15.08

20.83

13.33

12.82

20.69

E_Coul (eV)

2.44

1.37

0.73

1.55

1.60

0.73

S_r (a.u.)

0.56

0.36

0.15

0.42

0.43

0.16

H (Å)

7.55

6.462

4.77

6.686

6.789

4.81

t (Å)

− 3.08

8.92

16.51

6.966

6.346

16.30

HDI

4.39

4.64

6.35

4.48

4.32

6.34

EDI

4.15

5.78

6.69

5.35

5.07

6.67