Paramagnetic complexes NMRD profiles

H NMRD Profiles of Paramagnetic Complexes and Metalloproteins Ivano Bertini, Claudia Luchinat and Giacomo Parigi... 

Fig. 7. NMRD profiles calculated for slightly asymmetric, weakly deformable complexes with different electron spin quantum numbers (a) cylindrically-symmetric ZFS, E = 0 (b) maximum rhombicity E = DjS. Reprinted from J. Magn. Reson. vol. 146, Nilsson, T. Kowalewski, J., Slow-motion theory of nuclear spin relaxation in paramagnetic low-symmetry complexes A generalization to high electron spin , pp. 345-358, Copyright 2000, with permission from Elsevier.

Abernathy and Sharp (130,145) treated the intermediate regime, when the reorientation of the paramagnetic species is in-between the slow- and fast-rotations limits. They applied the spin-dynamics method, described in Section VI, to the case of outer-sphere relaxation and interpreted NMRD profiles for non-aqueous solvents in the presence of complexes of Ni(II) (S = 1) and Mn(III) (S = 2). 

Fig. 9. NMRD profiles (25° C) of [GdD0TA(B0M)3(H20)] (open circles), its inclusion complex with P-cyclodextrin (filled circles) and of [GdD0TA(B0M)3(H20)]-HSA adduct (squares). The different shapes and amplitudes of the profiles are primarily due to the different rotational correlation times of the paramagnetic complexes.

---