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.
The crystallized solvent could influence the lanthanide water bonding?
AIME, Silvio
2006-01-01
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.
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