Abstract
The relaxation rate ratio method (RRR) has been used to calculate molecular correlation times, τc, from the 13C and 113Cd relaxation rates of cadmium−cyclohexanediamine tetraacetate (CyDTA). The ratio of spin−spin (R2) relaxation rates to spin−lattice (R1) relaxation rates (R2/R1) is used to determine the relative motion of specific nuclei within the Cd−CyDTA complex. Formation of the Cd−CyDTA complex results in an increase in the measured NMR rotational correlation times compared with the values obtained for the CyDTA ligand alone. 13C chemical shifts, evidence of 113Cd−14N coupling and NMR rotational correlation times provide information concerning the geometry of the Cd−CyDTA complex. The NMR experimental results correlate with anhydrous, hydrated, and hydroxylated ab initio structures of the Cd−CyDTA complex.
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