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. Author manuscript; available in PMC: 2021 Apr 15.
Published in final edited form as: Inorg Chem. 2020 May 5;59(10):6648–6678. doi: 10.1021/acs.inorgchem.0c00510

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-DOTMA171172 −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
a

two isomers

b

corresponds to major isomer with δ = 17.8ppm

c

9.4T

d

7.0T

e

11.7T

f

calculated from T2, assuming T2 ~ 1/(Δν1/2*π).