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. 2025 Aug 22;15(36):30001–30025. doi: 10.1039/d5ra04238k

Table 10. Global reactivity parameters of synthesized compoundsa.

Entry χ (eV) η (eV) σ (eV−1) ω (eV) μ (eV) ΔNmax (eV)
4a 3.49 0.61 1.64 9.98 −3.49 5.72
4b 4.27 1.53 0.65 5.95 −4.27 2.78
4c 3.94 1.47 0.68 5.28 −3.94 2.68
4d 3.93 1.49 0.67 5.18 −3.93 2.63
4e 4.13 1.43 0.70 5.96 −4.13 2.88
4f 4.36 1.56 0.64 6.09 −4.36 2.79
4g 4.32 1.54 0.65 6.05 −4.32 2.80
4h 4.27 1.53 0.65 5.96 −4.27 2.79
4i 3.99 1.50 0.67 5.31 −3.99 2.66
4j 4.38 1.55 0.65 6.19 −4.38 2.82
4k 3.98 1.50 0.66 5.27 −3.98 2.65
4l 3.43 0.59 1.68 9.91 −3.43 5.77
4m 4.29 1.55 0.64 5.94 −4.29 2.77
4n 3.94 1.49 0.67 5.20 −3.94 2.64
a

χ = electronegativity; η = chemical hardness; σ, chemical softness; ω, global electrophilicity; μ, chemical potential; ΔNmax = maximum electronic charge.