Table 3 The quantum reactivity indexes including chemical potential (\(\mu\)), hardness (\(\eta\)), and electrophilicity index (\(\omega\)) in eV
Compound | \({\text{E}}_{{\varvec{g}}}\) | \(\upmu\) | \(\upeta\) | \(\omega\) |
|---|---|---|---|---|
8a | 2.68 | − 4.59 | 1.34 | 7.86 |
8b | 2.96 | − 4.57 | 1.48 | 7.05 |
8c | 2.50 | − 4.49 | 1.25 | 8.06 |
8d | 2.49 | − 4.47 | 1.24 | 8.05 |
8e | 2.16 | − 4.31 | 1.08 | 8.60 |
8f | 2.81 | − 4.69 | 1.40 | 7.85 |
8g | 2.88 | − 4.74 | 1.44 | 7.80 |
8h | 2.71 | − 4.65 | 1.35 | 8.00 |
8i | 2.67 | − 4.63 | 1.33 | 8.06 |
8j | 2.86 | − 4.77 | 1.43 | 7.95 |
8k | 2.70 | − 4.63 | 1.35 | 7.93 |
8l | 2.97 | − 4.83 | 1.48 | 7.88 |