Direct detection of17O in [Gd(DOTA)]-by NMR spectroscopy

Luca Fusaro, Girolamo Casella, Alessandro Bagno

Research output: Contribution to journalArticlepeer-review


The 17O NMR spectrum of the non-coordinated carboxyl oxygen in the GdIII-DOTA (DOTA = tetraazacyclododecanetetraacetic acid) complex has been observed experimentally. Its line width is essentially unaffected by paramagnetic relaxation due to gadolinium, and is only affected by the quadrupole pathway. The results are supported by the relevant parameters (hyperfine and quadrupole coupling constants) calculated by relativistic DFT methods. This finding opens up new avenues for investigating the structure and reactivity of paramagnetic GdIII complexes used as contrast agents in magnetic resonance imaging.

Original languageEnglish
Pages (from-to)1955-1960
Number of pages6
JournalChemistry: A European Journal
Issue number5
Publication statusPublished - 26 Jan 2015


  • Density functional calculations
  • Imaging agents
  • Lanthanides
  • Nmr spectroscopy


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