Photodynamic Efficiency of Xanthene Dyes and Their Phototoxicity against a Carcinoma Cell Line: A Computational and Experimental Study

Table 4

The HOMO and LUMO energies (in eV), HOMO-LUMO energy gap (in eV), the chemical hardness (η, in eV), electronic chemical potential (μ, in eV), electrophilicity (ω, in eV), the area (Ų), volume (ų), and electric dipole moment (in Debye) for each xanthene dye studied.

Properties	FL	EB	EY	RB
HOMO	−5.1	−0.7	−5.5	−0.9
LUMO	−2.1	−0.4	−2.5	−0.9
Gap	−3.0	−0.3	−3.0	0.0
μ	3.6	0.6	4.0	0.9
η	3.0	0.3	3.0	0.0
ω	2.2	0.6	2.7	1.0
Area	510.1	660.1	626.4	732.7
Volume	859.0	1169.2	1090.4	1317.1
Dipole	16.7	12.2	14.2	11.2