Table 3. Global reactivity descriptors (in eV) of all studied systems.

Compounds	IP	EA	X	η	µ	ω	σ
Ref	5.04	1.13	3.09	1.96	−3.09	2.43	0.26
M1	5.72	4.10	4.91	0.81	−4.91	14.88	0.62
M2	5.66	4.13	4.90	0.77	−4.90	15.66	0.65
M3	5.61	4.13	4.87	0.74	−4.87	16.02	0.68
M4	5.54	4.11	4.83	0.72	−4.83	16.28	0.70
M5	5.49	4.11	4.80	0.69	−4.80	16.70	0.72
M6	5.41	4.07	4.74	0.67	−4.74	16.77	0.75