The 17O NMR spectrum of the non-coordinated carboxyl oxygen in the Gd(III) DOTA complex has been observed experimentally. Its line width is essentially unaff ected by paramagneticrelaxation due to Gd, and due only to the quadrupole pathway. The results aresupported by the relevant parameters (hyperfine and quadrupole coupling constant) calculatedby relativistic DFT methods. This finding opens new avenues for investigating the structureand reactivity of paramagnetic Gd(III) complexes used as contrast agents in MRI.
|Numero di pagine||6|
|Rivista||CHEMISTRY-A EUROPEAN JOURNAL|
|Stato di pubblicazione||Published - 2015|
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