Search results for "uranyl-salophen complexes"

showing 2 items of 2 documents

Entrapment of a linear water pentamer into a uranyl-salophen dimer in the solid state

2019

In the solid state, uranyl-salophen complex 1, decorated with bipyridyl sidearms, self-assembles from moist acetonitrile into dimeric species displaying a confined water pentamer, as observed by X-...

self-assembly; single crystal X-ray diffraction; uranyl-salophen complexes; Water clusters010405 organic chemistryPentamerDimerSolid-stateGeneral Chemistryself-assembly010402 general chemistry01 natural sciences0104 chemical sciencesEntrapmentchemistry.chemical_compoundWater clusterschemistryUranyl salophenPolymer chemistrySelf-assemblyuranyl-salophen complexesConfined waterAcetonitrilesingle crystal X-ray diffraction
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X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.

2017

In the solid state, salophen–UO2 complexes bearing one, two, or three NO2 groups lack the pronounced ligand curvature that represents a structural hallmark for this class of compounds. A detailed structural study based on single-crystal X-ray crystallography and computational methods, comprising molecular dynamics, gas-phase Hartree Fock, and DFT calculations, was carried out to investigate the coordination properties of the uranyl cation.

Bearing (mechanical)010405 organic chemistryLigandnitrogen dioxide groupsX-rayHartree–Fock methodMolecular Dynamics; X-ray diffraction; Uranyl complexesMolecular Dynamics010402 general chemistryUranyl01 natural sciencesX-ray diffraction0104 chemical scienceslaw.inventionInorganic ChemistryMolecular dynamicschemistry.chemical_compoundCrystallographyUranyl salophenchemistrylawUranyl complexesNitrouranyl-salophen complexesta116Dalton transactions (Cambridge, England : 2003)
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