Table 5.
Conceptual density functional theory parameters for the cinnamaldehyde derives Schiff base compounds.
CA3 | ||||
---|---|---|---|---|
Atom | f⁻ | f⁺ | f⁰ | CDD |
N42 | 0.0461 | 0.0657 | 0.0559 | 0.0195 |
C43 | 0.0276 | 0.0604 | 0.0440 | 0.0328 |
CA4 | ||||
N9 | 0.0629 | 0.0850 | 0.0739 | 0.0222 |
C10 | 0.0347 | 0.0651 | 0.0499 | 0.0304 |
CA9 | ||||
N9 | 0.0488 | 0.0692 | 0.0590 | 0.0204 |
C10 | 0.0299 | 0.0718 | 0.0509 | 0.0419 |
CA10 | ||||
N9 | 0.0659 | 0.0481 | 0.0570 | −0.0177 |
C10 | 0.0274 | 0.0655 | 0.0465 | 0.0381 |