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. 2021 Aug 31;60(40):21973–21978. doi: 10.1002/anie.202108591

Table 3.

Halide anion association constants for the 3⋅ChBR receptor systems.

Anion association constants K a [M−1] for 3⋅ChBR series[a]

Anion[b]

pOMe

pMe

Ph [c]

pF

pCl

mF

mCF3

pCF3

2F [c]

3F [c]

2CF3

ρ [g]

r [h]

Cl

450

1140

1360

1610

4790

14 000[f]

>105[d]

>105[d]

>105[d]

>105[d]

>105[d]

2.20±0.29

0.97

Br

230

 518

 822

 863

2540

  2740 

7540

7270

5180

11 800[f]

19 900[f]

1.59±0.13

0.97

I

NB[e]

NB[e]

 119

 398

 674

  592 

1450

1620

1040

  1750 

  3980 

1.28±0.23

0.90

[a] Association constants determined by Bindfit analysis of Te‐aryl chemical shift perturbations unless otherwise specified, errors ≤10 % unless otherwise specified, conducted in [D6]acetone. [b] Anions added as their tetrabutylammonium salts. [c] Determined by monitoring of internal pyridine proton signal. [d] Too large to be accurately quantified by1H NMR titration. [e] No binding. [f] Error ≤26 %. [g] ρ refers to the value from the Hammett equation [h] Pearson's correlation coefficient.