Dynamic aggregation of the mid-sized gadolinium complex {Ph-4[Gd(DTTA)(H2O)(2)](-)(3)}
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Three-dimensional nuclear magnetic resonance (3D NMR) provides one of the foremost analytical tools available for the elucidation of biomolecular structure, function and dynamics. Executing a 3D NMR experiment generally involves scanning a series of time-d ...
he structure and dynamics of the surrounding water were studied through molecular dynamics (MD) simulations for several GdIII polyaminocarboxylate and polyaminophosphonate complexes in aqueous solution. The radial distribution functions (rdf) show that a f ...
Ligand field effects in lanthanide ions compounds have consequences for optical and magnetic spectroscopy. In the analysis of electron paramagnetic resonance spectra of Gd3+ complexes, a major role is played by the zero field splitting (ZFS), which is a hi ...
Nuclear magnetic resonance spectroscopy (MRS) in low and medium magnetic fields yields well-resolved natural abundance proton and decoupled phosphorus spectra from small (1-10 cc) volumes of brain in vivo in minutes. With this tool, neurochemical research ...
The magnetic excitation spectrum in the two-dimensional (2D) S = 1/2 Heisenberg antiferromagnet copper deuteroformate tetradeuterate has been measured for temperatures up to T similar to J/2, where J = 6.31 +/- 0.02 meV is the 2D exchange coupling. For T < ...
A series of ruthenium, osmium and rhodium complexes utilizing pta, (1,3,5-triaza-7-phosphatricyclo-[3.3.1.1]decane) and pta-Me+, its N-methyl derivative, have been synthesized. Their characterization by 1H and 31P NMR spectroscopy, ESI-MS and single crysta ...
Computer-supported anal. of two-dimensional correlation spectra encounters a no. of obstacles which are due, in the simplest case, to insufficient digital resoln., and, in more severe cases, to fundamental ambiguities in multiplet patterns. Various strateg ...
The water-soluble tertiary phosphine complex of ruthenium(II), [RuCl2(PTA)(4)], (PTA. 1,3,5-triaza-7-phosphaadamantane) was used as catalyst precursor for hydrogenation of CO2 and bicarbonate in aqueous solution, in the absence of amine or other additives, ...
The heterotritopic ligand [bpy(DTTA)2]8- has two diethylenediamine-tetraacetate units for selective lanthanide(III) coordination and one bipyridine function for selective FeII coordination. In aqueous solution and in the presence of these metals, the ligan ...
We performed an Eu153 and Eu151 NMR study of EuO and Gd doped EuO using a home-made spectrometer designed to measure signals with fast spin-spin relaxation times. We determined and described the broadening mechanisms giving rise to the structure in the lin ...