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Self‐aggregated dinuclear lanthanide(III) complexes as potential bimodal probes for magnetic resonance and optical imaging
(Wiley, 2013-08-26)
[Abstract] Homodinuclear lanthanide complexes (Ln=La, Eu, Gd, Tb, Yb and Lu) derived from a bis‐macrocyclic ligand featuring two 2,2′,2′′‐(1,4,7,10‐tetraazacyclododecane‐1,4,7 triyl)triacetic acid chelating sites linked ...
Density functional dependence of molecular geometries in lanthanide(III) complexes relevant to bioanalytical and biomedical applications
(Elsevier, 2012-11-01)
[Abstract] A set of 15 lanthanide-containing model systems was used to evaluate the performance of 15 commonly available density functionals (SVWN, SPL, BLYP, G96LYP, mPWLYP, B3LYP, BH&HLYP, B3PW91, BB95, mPWB95, TPSS, ...
Understanding stability trends along the lanthanide series
(Wiley, 2014-04-01)
[Abstract] The stability trends across the lanthanide series of complexes with the polyaminocarboxylate ligands TETA4− (H4TETA=2,2′,2′′,2′′′‐(1,4,8,11 tetraazacyclotetradecane‐1,4,8,11‐tetrayl)tetraacetic acid), BCAED4− ...
Definition of an intramolecular Eu‐to‐Eu energy transfer within a discrete [Eu2L] complex in solution
(Wiley, 2012-06-25)
[Abstract] Ligand L, based on two do3a moieties linked by the methylene groups of 6,6′‐dimethyl‐2,2′‐bipyridine, was synthesized and characterized. The addition of Ln salts to an aqueous solution of L (0.01 M Tris‐HCl, pH ...
Hyperfine coupling constants on inner‐sphere water molecules of GdIII‐based MRI contrast agents
(Wiley, 2012-11-02)
[Abstract] Herein we present a theoretical investigation of the hyperfine coupling constants (HFCCs) on the inner‐sphere water molecules of [Gd(H2O)8]3+ and different GdIII‐based magnetic resonance imaging contrast agents ...
Conformational study of lanthanide(III) complexes of N-(2-salicylaldiminatobenzyl)-1-aza-18-crown-6 by using X-ray and ab initio methods
(Elsevier, 2008-02-21)
[Abstract] A structural study of lanthanide complexes with the deprotonated form of the monobracchial lariat ether N-2-salicylaldiminatobenzyl-aza-18-crown-6 (L4) (Ln = La(III)–Tb(III)) is presented. Attempts to isolate ...