Table 4.
Linear regression equations, intercepts in ppm. If not specified, both trimers yield the same results.
Eq. | No | Intercept | Slope | R2 | Atom | Exp. | Calcd |
1 | 26 | (3.2 ± 0.7) | (0.55 ± 0.10) | 0.563 | 1H | solution | gas phase |
2 | 26 | (1.2 ± 0.6) | (0.81 ± 0.08) | 0.797 | 1H | solution | DMSO |
3 | 59 | −(0.2 ± 1.3) | (1.00 ± 0.01) | 0.993 | 13C | solution | gas phase |
4 | 59 | −(0.7 ± 0.7) | (1.000 ± 0.001) | 0.998 | 13C | solution | DMSO |
5 | 59 | −(0.7 ± 2.0) | (1.01 ± 0.02) | 0.987 | 13C | CPMAS | gas phase |
6 | 59 | −(0.8 ± 1.2) | (1.01 ± 0.01) | 0.993 | 13C | CPMAS | DMSO |
7a | 58 | −(0.2 ± 1.3) | (1.00 ± 0.01) | 0.994 | 13C | solution | gas phase |
8a | 58 | −(0.7 ± 0.7) | (1.000 ± 0.005) | 0.998 | 13C | solution | DMSO |
9a | 53 | −(0.6 ± 1.9) | (1.01 ± 0.02) | 0.989 | 13C | CPMAS | gas phase |
10a | 53 | −(1.1 ± 1.3) | (1.01 ± 0.01) | 0.995 | 13C | CPMAS | DMSO |
11 | 6 | (6.6 ± 7.2) | (0.95 ± 0.06) | 0.986 | 13C | CPMAS | monomerb |
12 | 6 | (5.2 ± 3.3) | (0.96 ± 0.03) | 0.997 | 13C | CPMAS | trimer Ab |
13 | 6 | (3.7 ± 3.4) | (0.98 ± 0.03) | 0.997 | 13C | CPMAS | trimer Bb |
14 | 14 | −(22.3 ± 7.3) | (0.86 ± 0.04) | 0.978 | 15N | solution | gas |
15 | 14 | (10.5 ± 9.1) | (1.02 ± 0.05) | 0.976 | 15N | solution | DMSO |
16 | 14 | −(51.0 ± 7.1) | (0.72 ± 0.04) | 0.970 | 15N | CPMAS | gas |
17 | 14 | −(23.5 ± 7.5) | (0.86 ± 0.04) | 0.976 | 15N | CPMAS | DMSO |
18 | 10 | −(1.4 ± 6.6) | (0.96 ± 0.03) | 0.991 | 15N | solution | monomerb |
19 | 10 | (6.6 ± 10.4) | (1.00 ± 0.05) | 0.979 | 15N | solution | trimerb |
20 | 10 | −(29.8 ± 5.3) | (0.82 ± 0.03) | 0.991 | 15N | CPMAS | monomerb |
21 | 10 | −(23.8 ± 7.5) | (0.85 ± 0.04) | 0.984 | 15N | CPMAS | trimerb |
aThe 13C signal of the CF3 group has been removed. bDMSO calculations.