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

Table 1

Global reactivity descriptors for the dansylglycine molecule calculated with the MN12SX/Def2TZVP model chemistry in water and in dioxane.

	Electronegativity (α)	Chemical hardness (η)	Electrophilicity (ω)	Electrodonating power ()	Electroaccepting power ()	Net electrophilicity ()
Water	4.1950	3.6287	2.4248	4.2184	2.7183	6.9366
Dioxane	4.1427	3.6924	2.3240	4.0868	2.5974	6.6842