Table 1 Binding constants of host–guest complexes.

From: Paramagnetic relaxation enhancement NMR as a tool to probe guest binding and exchange in metallohosts

Host

Guest

Log(Ka)

ΔG (kcal mol−1)e

H21

V1

7.29 ± 0.26a

−9.95 ± 0.16

Mn1

V1

3.68 ± 0.16b

−5.02 ± 0.10

H21

V2

5.78 ± 0.30a,c

−7.88 ± 0.18

Mn1

V2

4.20 ± 0.17b

−5.72 ± 0.11

H21

VPvar

~7.4a,d

−10 to −11

Mn1

VP

3.23 ± 0.18b

−4.40 ± 0.10

  1. aBinding constants were determined by UV–Vis titrations in CHCl3/CH3CN 1:1 (v/v).
  2. bBinding constants were determined by PRE NMR titrations in CHCl3/CDCl3/CD3CN 1:4:5 (v/v/v).
  3. cValue taken from ref. 33.
  4. dValue taken from refs. 40, 41 at 23 °C for a similar polymeric structures as VP, which, however, had variable poly-THF chain lengths (34–88 monomer units).
  5. eCalculated for T = 25 °C.