On Anomalous Fluorescence of Symmetrical Polymethine Dyes

Table 4

Calculated absorption spectrum of PMD-II.

Type of quantum transition	Wavelength λ, nm	MO, between which transition occurred	Oscillator strength	Symmetry
S0 ⟶ T1	1389.3	110 ⟶ 111	0	B2 ⟶ A2 – x-В1
S0 ⟶ T2	647.6	110 ⟶ 112	0	B2 ⟶ B2 – y-A1
		107 ⟶ 111		A2 ⟶ A2 – y-A1
S0 ⟶ S1	700.2	110 ⟶ 111	1.5603	B2 ⟶ A2 – x-В1
			π ⟶ π
S0 ⟶ S2	456.2	110 ⟶ 116	0.0002	B2 ⟶ В1 – А2
			π ⟶ σ
S0 ⟶ S3	456.0	110 ⟶ 115	0.0042	B2 ⟶ А1 – z-В2
			π ⟶ σ
S0 ⟶ S4	381.4	110 ⟶ 112	0.4731	B2 ⟶ B2 – y-A1
		107 ⟶ 111	π ⟶ π	A2 ⟶ A2 – y-A1