Antioxidant Properties of Curcumin Analogues to Inhibit Thermal Degradation of Low-Density Polyethylene: Experimental and DFT Study

Table 4

HOMO and LUMO energy, energy gap ΔE, and global reactivity indices μ, ω, η, and N (eV) for curcumins 1–8.

Compound	HOMO	LUMO	ΔE	η	s	μ	ω	N
1	−6.02	−2.43	3.59	1.80	206.15	−4.22	4.96	2.64
2	−6.15	−2.51	3.64	1.82	203.54	−4.33	5.14	2.51
3	−5.83	−2.11	3.72	1.86	198.90	−3.97	4.23	2.83
4	−5.77	−2.22	3.55	1.77	208.81	−3.99	4.49	2.89
5	−5.93	−2.27	3.67	1.83	202.03	−4.10	4.58	2.73
6	−5.60	−2.09	3.52	1.76	210.55	−3.85	4.21	3.05
7	−5.57	−2.20	3.38	1.69	219.29	−3.89	4.47	3.08
8	−5.72	−2.23	3.49	1.74	212.47	−3.97	4.53	2.94