Substitution von molekularen Klammern an den Naphthalin ...

Experimenteller Teil
Rezeptor:
- O2C
OCH 3
OCH 3
2 (n-Bu) 4N +
Lösungsmittel:
meso-95
CD3OD MR [g mol -1 ] 1037.52
T [°C] 25 MS [g mol -1 ] 264.07
Substrat NMNA 81 mR [mg] 5.85
c
d
b
N
e
Δδ obs [ppm]
I
a
O
V
[mL]
0.50
0.55
0.60
0.65
0.70
0.75
0.80
0.85
0.90
1.00
1.10
1.20
1.30
1.40
1.50
1.60
1.70
1.85
1.0
0.8
0.6
0.4
0.2
NH 2
CO 2 -
δ 0 (Ha) [ppm]= 9.377 mS [mg] 2.26
δ 0 (Hb) [ppm]= 8.940 V0 [mL] 3.0
δ 0 (Hc) [ppm]= 8.191 [S]0 [10 -3 M] 2.85
δ 0 (Hd) [ppm]= 9.045
δ 0 (He) [ppm]= 4.480
[R]0
[10 -2 M]
1.128
1.025
0.940
0.868
0.806
0.752
0.705
0.663
0.627
0.564
0.513
0.470
0.434
0.403
0.376
0.352
0.332
0.332
δS(Ha)
[ppm]
8.099
-
8.133
8.148
8.162
8.179
8.192
8.205
8.218
8.243
8.260
8.277
8.283
8.321
8.326
8.345
8.370
8.373
0.0
0.000 0.002 0.004 0.006
[R] 0 [M]
0.008 0.010 0.012
Δδobs (Ha)
[ppm]
0.842
-
0.808
0.792
0.779
0.762
0.749
0.736
0.723
0.698
0.680
0.663
0.658
0.620
0.615
0.596
0.571
0.568
Δδcalc (Ha)
[ppm]
0.819
-
0.799
0.789
0.779
0.768
0.747
0.736
0.723
0.714
0.692
0.671
0.649
0.628
0.608
0.588
0.569
0.541
342
Ka [M -1 ] = 1400 ± 140
Δδmax [ppm ]= 0.90 (Hb)
0.65 (Ha)
1.37 (Hc))
0.89 (Hd)
0.50 (He)