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.

From: Quinoline based thiosemicarbazones as colorimetric chemosensors for fluoride and cyanide ions and DFT studies

 

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

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