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Thompson AL, Parker D, Fulton DA, et al. On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes. Dalton Trans. 2006;(47):5605-16doi: 10.1039/b606206g.
Thompson, A. L., Parker, D., Fulton, D. A., Howard, J. A., Pandya, S. U., Puschmann, H., Senanayake, K., Stenson, P. A., Badari, A., Botta, M., Avedano, S., & Aime, S. (2006). On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes. Dalton transactions (Cambridge, England : 2003), (47), 5605-16. https://doi.org/10.1039/b606206g
Thompson, Amber L, et al. "On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes." Dalton transactions (Cambridge, England : 2003) vol. ,47 (2006): 5605-16. doi: https://doi.org/10.1039/b606206g
Thompson AL, Parker D, Fulton DA, Howard JA, Pandya SU, Puschmann H, Senanayake K, Stenson PA, Badari A, Botta M, Avedano S, Aime S. On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes. Dalton Trans. 2006 Dec 21;(47):5605-16. doi: 10.1039/b606206g. Epub 2006 Aug 25. PMID: 17225897.
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Dalton Trans. 2006 Dec 21;(47):5605-16. doi: 10.1039/b606206g. Epub 2006 Aug 25.

On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.

Dalton transactions (Cambridge, England : 2003)

Amber L Thompson, David Parker, David A Fulton, Judith A K Howard, Shashi U Pandya, Horst Puschmann, Kanthi Senanayake, Philip A Stenson, Alessandra Badari, Mauro Botta, Stefano Avedano, Silvio Aime

Affiliations

  1. Department of Chemistry, University of Durham, South Road, Durham, DH13LE, UK.

PMID: 17225897 DOI: 10.1039/b606206g

Abstract

The crystal structures of the hydrated salts of [Gd.DOTAM]3+ and its more hydrophobic derivative [Gd.]3+, bearing 4 alpha-phenylethyl groups, (both Gd and Yb salts) are reported and compared. The nature of the anion determines the degree of ordering in the lattice and the extent of hydration. These effects are correlated with the results of 17O and 1H NMR measurements of water exchange dynamics in solution. With [Gd.DOTAM]3+, structural ordering or the extent of hydration in the hydrated lattice follows the sequence Cl->Br->I- and this order also defines the water exchange rate in solution: 7.3, 19.5, 33.3x10(4) s-1 (298 K), respectively. For [Gd.]3+ salts, the measured relaxivity is determined purely by the outer sphere term and the water exchange rate at 298 K is very similar (typically 1x10(4) s-1) for chloride, bromide, iodide, acetate, triflate and nitrate salts, notwithstanding the different nature and extent of hydration found in the crystalline lattice.

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