Probing solvation-shell hydrogen binding in glassy and sol-gel matrixes through vibronic sideband luminescence spectroscopy

Article Abstract:

In this discussion, the vibronic sideband luminescence spectroscopy (VSBLS) is used to characterize how these two classes of matrixes pertub the hydration shell of Gd (III) cations. The results are consistent with the retention of water within the first solvation shell for both the glassy matrixes and the glycerol-bathed sol-gel.

Science & research, Research, Electric properties, Hydrogen bonding, Hydrogen bonds, Chemistry, Physical and theoretical, Physical chemistry, Luminescence

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A tight-binding method for predicting magnetic ordering in Gd-containing solids: Application to GdB2C2

Article Abstract:

A method to compute d-f mediated exchange coupling in Gd-containing systems with a spin-dependent extended Huckel-tight binding (EHTB) method is presented. Calculations indicate that this metallic system should exhibit antiferromagnetic ordering of the 4[f.sup.7] moments.

Texas, Density functionals, Density functional theory, Magnetic properties, Chemical properties, Atomic properties

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• Abstracts: Mechanisms of the intermolecular nuclear magnetic relaxation dispersion of the (CH3)(sub 4)N(super +)protons in Gd(super 3+) heavy-water solutions. Interest for the theory of magnetic resonance imaging

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