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Elsevier, Inorganica Chimica Acta, 10(359), p. 3405-3411

DOI: 10.1016/j.ica.2006.03.023

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The crystallized solvent could influence the lanthanide water bonding?

Journal article published in 2006 by G. Bombieri, N. Marchini, S. Ciattini ORCID, S. Clattini, A. Mortillaro, S. Aime
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Two gadonilium DOTAM complexes [Gd(DOTAM)H2O](CF3SO3)(3) center dot 3H(2)O (1) and [Gd(DOTAM)H2O](CF3SO3)(3) center dot 0.5H(2)O center dot CH3CN (2) have the structure of the M isomer, with coordination geometry around the Gd ion capped square antiprismatic (SA). They differ for the Gd-O-water bond lengths of 2.396(6) and 2.474(7) angstrom in (2) where two independent molecules are present in the crystal cell. The factors influencing the Gd-O-water bond distance, important for the water exchange rate in MRI experiments, have been correlated to the different network of hydrogen bonds involving the Gd coordinated water molecule. The X-ray structure of the parent compound [Pr(DOTAM)H2O](CF3SO3)(3) center dot HO center dot CH3CN (3) reveals an unexpected twisted square antiprismatic (TSA) coordination geometry characteristic of the In isomer.