Local Molecular Reactivity of the Colored Dansylglycine in Water and Dioxane Studied through Conceptual DFT

Table 2

Maximum wavelength absorption () of the dansylglycine molecule in water and dioxane calculated from the HOMO-LUMO gap and from TDDFT results in comparison with experimental value.

	(HL)	(HL)	(TDDFT)	(TDDFT)
Water	342	2	362	22
Dioxane	336	3	354	15