Estimating the Ground and Excited State Dipole Moments of Levofloxacin and Norfloxacin Drugs Using Solvatochromic Effects and Computational Work

Table 5

HOMO-LUMO energy band gap, UV/Vis. absorption wavelengths and corresponding oscillator strengths determined using TD-SCF-DFT-B3LYP-6-31G.

Com.	Band gap (eV)	λ1 (nm)	λ2 (nm)	λ3 (nm)	E1 (eV)	E2 (eV)	E3 (eV)	S1	S2	S3
LVF	0.123	416.4	394.0	386.3	2.9773	3.1467	3.2098	0	0.0262	0.0003
NRF	0.141	390.2	360.2	359.1	3.1773	3.4424	3.4529	0.0003	0.0118	0.0609

E₁: excited state 1 energy and corresponding wavelength, λ₁; oscillator strength, S₁. E₂: excited state 2 energy and corresponding wavelength, λ₂; oscillator strength, S₂. E₃: excited state 3 energy and corresponding wavelength, λ₃ and oscillator strength, S₃.