Excited State

Singlet-A

Eigenvectors

Transition

ΔE eV

λcalc. nm

F

λexp. nm

Excited State 1

54 → 57

54 → 61

56 → 57

56 → 58

56 → 61

0.29826

−0.11518

0.55621

−0.17879

−0.11978

ψm−2 → ψm+1

ψm−2 → ψm+5

ψm → ψm+1

ψm → ψm+2

ψm → ψm+5

4.9819

245 nm

0.0658

263 nm

Excited State 2

54 → 57

55 → 57

55 → 58

55 → 61

56 → 58

56 → 59

56 → 61

0.12731

0.42453

0.10408

0.15894

0.41711

−0.25061

−0.14454

ψm−2 → ψm+1

ψm−1 → ψm+1

ψm−1 → ψm+2

ψm−1 → ψm+5

ψm → ψm+5

ψm → ψm+3

ψm → ψm+5

5.2043

238.24

0.0104

231 nm

Excited State 3

54 → 57

54 → 58

54 → 61

56 → 57

0.52994

−0.12594

−0.17235

−0.34971

ψm−2 → ψm+1

ψm−2 → ψm+2

ψm−2 → ψm+5

ψm → ψm+1

5.4852

226.03

0.0497