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. 2022 Mar 23;12:4927. doi: 10.1038/s41598-022-08860-3

Table 3.

Global reactivity parameters for RB-1, RB-1 + F ions, RB-2, RB-2 + F ions, RB-3, RB-3 + F ions chemosensors for free and complex.

IP EA X μ η S ω
RB-1 6.169 2.290 4.229 − 4.229 1.939 0.2577 4.611
RB-2 6.234 2.330 4.282 − 4.282 1.952 0.2561 4.696
RB-3 6.042 2.213 4.127 − 4.127 1.914 0.2611 4.449
RB-1 + F ions 6.397 2.277 4.337 − 4.337 2.060 0.2427 4.565
RB-2 + F ions 6.454 2.338 4.396 − 4.396 2.058 0.2429 4.695
RB-3 + F ions 6.299 2.200 4.249 − 4.249 2.049 0.2439 4.405

IP, ionization potential; EA, electron affinity; X, electronegativity; μ, chemical potential; η, hardness; S, softness; ω, electrophilicity.