Coumarin <i>N</i>-Acylhydrazone Derivatives: Green Synthesis and Antioxidant Potential-Experimental and Theoretical Study.

Antioxidants (Basel) · 2023 · PMC10604617 · PMID 37891938

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a decreasing trendno p-value reported

Based on the sum Δ r G SET + Δ r G PT , it can be concluded that the reactivity of the compounds under investigation follows a decreasing trend in the sequence 3d > 3c > 3f > 3b > 3a > 3e , which aligns with the experimental results.

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an increasing trendno p-value reported

On the other hand, the calculated BDE values for the homolytic cleavage of N–H bonds exhibited an increasing trend in the following order: 3e > 3b > 3d > 3f > 3c > 3a .

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