Theoretical Investigation of the Electronic Structure and Magnetic Properties of Oxo-Bridged Uranyl(V) Dinuclear and Trinuclear Complexes
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The water exchange reactions of PuO2(OH2)(5) and UO2(OH2)(5) were investigated with density functional theory (DFT) and wave function theory (WFT). Geometries and vibrational frequencies were calculated with DFT and CPCM hydration. The electron ...
The interplay of superconductivity and magnetism is investigated for systems with dimensions ranging from the mesoscopic to the atomic scale by scanning tunneling microscopy (STM) at millikelvin temperatures and by numerical calculations. Based on geometri ...
Two new complexes based on pyridine-2,3,5,6-tetracarboxylic acid(H(4)pdtc) as ligand, {[Co-2(pdtc)(H2O)(4)]center dot H2O}(n) (1) and {Mn-2(pdtc)(H2O)(4)}(n) (2), have been obtained by hydrothermal syntheses and characterized by IR, elemental analysis, X-r ...
One central aim of nanotechnology is the creation and exploitation of nanostructured materials with pre-programmed architecture and properties. The fabrication of functional nanostructures relies on versatile protocols of synthetic chemistry enabling the p ...
U(iv) promotes the disproportionation of otherwise stable uranyl(v) Schiff base complexes affording U(iv)-U(v) oxo clusters with new geometries and the first example of a U(iv)⋯UO 2 + cation-cation interaction. ...
We report powder and single-crystal neutron diffractionmeasurements, combinedwith x-ray powder diffraction data, to unravel the complex magnetic phase diagram and exchange coupling in Co3TeO6. The magnetic structures of the various phases differ markedly f ...
The magnetic structures adopted by the Fe and Sm sublattices in SmFeAsO have been investigated using element-specific x-ray resonant and nonresonant magnetic scattering techniques. Between 110 and 5 K, the Sm and Fe moments are aligned along the c and a di ...
We report on the spin dynamics and discovery of magnetoelectricity in the coupled-spin tetrahedral compound Cu2Te2O5Cl2. Te-125 NMR measurements show an anomalous resonance frequency shift and a signal wipe-out phenomenon around the Neel temperature T-N = ...
An isostructural series of dinuclear chromium(III)-lanthanide(III) clusters is formed by fluoride abstraction of cis-CrF2(phen)(2) by Ln(3+) resulting in LnF(3) and methoxide-bridged Cr-Ln clusters (Ln = Nd (1), Tb (2), Dy (3)) of formula [Cr-III(phen ...
We have studied the fluoride-bridged Dy-Cr molecular nanomagnet [Dy(hfac)(4)-CrF2(py)(4)]center dot 1/2CHCl(3) by x-ray magnetic circular dichroism (XMCD). The obtained element-specific magnetization curves allow for a quantification of the sign and streng ...