Table 7.
Chemical shift in ppm, T1, and full-width at half max (FWHM) of observed 1H for representative lanthanide-based and transition metal-based paraSHIFT agents.
1H resonance | Equiv. protons | T1 (ms) | δH (ppm) | FWHM (Hz) | FWHM (ppm) | |
---|---|---|---|---|---|---|
Dy-L2171 | −tBu | 18 | 5.7c | −17.8a −29.9a | 78b,c,f | 0.20 b,c,f |
Tm-DOTMA171–172 | −CH3 | 24 | 4.1a, 5.3a | −107a, −66.5a | 103a,c,f, 84a,c,f | 0.26a,c,f, 0.21a,c,f |
DyL2251 | −tBu | 18 | 8.0d | −60.1. −63.8 | N/D | |
Fe-MPT158 | −CH3 | 9 | 2.4e | 21.2 | 207e | 0.41e |
Fe-TMPC158 | −CH3 | 6 | 1.1e | −52.3 | 458e | 0.92e |
Fe-BMPC157 | −CH3 | 6 | 0.62e | −22.5 | 480e | 0.96e |
Fe-2MPC157 | −CH3 (pyridine) | 6 | 1.0e | −45.5 | 393e | 0.79e |
−CH3 (amine) | 6 | 1.1e | 105 | 359e | 0.72e | |
Co-MPT 158 | −CH3 | 9 | 5.7e | 8.03 | 66.5e | 0.13e |
Co-TMPC158 | −CH3 | 6 | 0.37e | −120 | 909e | 1.8e |
Co-BMPC157 | −CH3 | 6 | 0.30e | −80.4 | 1150e | 2.3e |
Co-2MPC157 | −CH3 (pyridine) | 6 | 0.44e | −112.5 | 848e | 1.7e |
−CH3 (amine) | 6 | 0.18e | 164.4 | 1982e | 4.0e |
two isomers
corresponds to major isomer with δ = 17.8ppm
9.4T
7.0T
11.7T
calculated from T2, assuming T2 ~ 1/(Δν1/2*π).