. 2022 Oct 7;12(44):28608–28622. doi: 10.1039/d2ra05239c

Computed λ_max, excitation energy (E_x), oscillator strength (f) and assignment of IDSTR and IDST1–IDST7 molecules in gaseous phase.

Molecules	Computed λ_max (nm)	E _x (eV)	f	Assignment
IDSTR	659	1.88	2.34	H–L (+98%)
IDST1	672	1.84	2.37	H–L (+99%)
IDST2	690	1.79	2.30	H–L (+99%)
IDST3	701	1.76	2.25	H–L (+98%)
IDST4	672	1.84	2.53	H–L (+99%)
IDST5	666	1.86	2.59	H–L (+98%)
IDST6	678	1.82	2.54	H–L (+98%)
IDST7	670	1.85	2.43	H–L (+97%)

Computed λmax, excitation energy (Ex), oscillator strength (f) and assignment of IDSTR and IDST1–IDST7 molecules in gaseous phase.