Computed λmax, excitation energy (Ex), oscillator strength (f) and assignment of IDSTR and IDST1–IDST7 molecules in CHCl3 solvent.
| Molecules | Exp. λmax (nm) | Computed λmax (nm) | E x (eV) | f | Assignment |
|---|---|---|---|---|---|
| IDSTR | ∼728 | 712 | 1.74 | 2.58 | H–L (+98%) |
| IDST1 | — | 732 | 1.69 | 2.57 | H–L (+99%) |
| IDST2 | — | 753 | 1.65 | 2.50 | H–L (+98%) |
| IDST3 | — | 770 | 1.61 | 2.42 | H–L (+97%) |
| IDST4 | — | 724 | 1.71 | 2.78 | H–L (+99%) |
| IDST5 | — | 717 | 1.73 | 2.81 | H–L (+99%) |
| IDST6 | — | 731 | 1.70 | 2.79 | H–L (+98%) |
| IDST7 | — | 723 | 1.71 | 2.71 | H–L (+98%) |