Advances in Physical Chemistry / 2016 / Article / Tab 5 / Research Article
A Group Theoretical and Quantum Chemical Study of Electronic Absorption and Fluorescence, Vibrational Spectra, and Conformations of Trimethine Cyanine Dye Molecules Table 5 Singlet-singlet quantum transitions in isomers I and II.
trans -Isomercis -IsomerType of transition , nm, ( )Type of transition , nm, ( )S 0
→ S 1 π → π (33 → 34)482.7 (1.0418) π → π (33 → 34) 481.0 (0.8252) S 0 → S 2 π → σ (33 → 38)330.7 (0.0000) π → σ (33 → 38 33 → 39 32 → 39)324.0 (0.0011) S 0 → S 3 π → σ (33 → 39 32 → 38)322.1 (0.0064) π → σ (33 → 38 33 → 39 32 → 38)321.5 (0.0059) → (33 → 35 32 → 34 )287.4 (0.0141 ) (33 → 35 )292.6 (0.1068 )S 0 → S 5 π → σ (33 → 40 32 → 41)281.2 (0.0000) π → σ (33 → 40 33 → 41)279.0 (0.0031) S 0 → S 6 3π → σ (3 → 41 32 → 40)274.3 (0.0000) π → π (32 → 34)273.5 (0.0228) S 0 → S 7 π → π (33 → 35 32 → 34)270.5 (0.0121) π → σ (33 → 41)272.7 (0.0160) S 0 → S 8 π → π (33 → 36)269.9 (0.0285) (33 → 36 33 → 37 )266.7 (0.1628 )S 0 → S 9 (33 → 37 )266.0 (0.3301 )π → π (33 → 37 32 → 36)266.3 (0.0772) S 0 → π → π (33 → 42)238.3 (0.0000) π → π (31 → 34)236.0 (0.0139) S 0 → π → π (31 → 34)235.9 (0.0123) π → π (33 → 42)232.0 (0.0897)