Synthesis, antibacterial and antioxidant activities of Thiazole-based Schiff base derivatives: a combined experimental and computational study

Table 5 Quantum chemical descriptors of the synthesized compounds in (eV)

Cpds	E_HOMO	E_LUMO	E_g	χ	µ	η	σ	ω	Nu	Polarizability (Bohr³)	Dipole moment (Debye)
7	− 5.880	− 3.638	2.242	4.759	− 4.759	1.121	0.446	10.10	0.099	97.72	6.083
8	− 5.972	− 4.177	1.795	5.074	− 5.075	0.898	0.557	14.35	0.069	108.50	6.249
9	− 6.242	− 4.147	2.095	5.194	− 5.195	1.048	0.477	12.88	0.077	112.88	14.629
10	− v6.091	− 4.286	1.805	5.188	− 5.189	0.903	0.554	14.91	0.067	118.58	5.497
11	− 6.433	− 4.252	2.181	5.342	− 5.343	1.091	0.459	13.09	0.076	117.12	10.164

ISSN: 2661-801X