Russian Journal of Coordination Chemistry · 2021 · 11 citations · 30 references
Natural SciencesChemistryPhysicsMagnetic MaterialsSpectroscopyStructural BiologyMagnetic AnisotropyMagnetic CharacterizationMagnetic Properties Of SolidsMagnetic Resonance SpectroscopyMagnetic SusceptibilityTransition Metal ComplexesMagnetic PropertiesMagnetic Properties Of Coordination ComplexesMagnetic Properties Of Transition Metal ComplexesMagnetism Of Transition Metal ComplexesParamagnetic ComplexesParamagnetic Nmr SpectroscopySingle-molecule MagnetismSingle-molecule Magnets
Abstract The tetrahedral cobalt(II) complex [CoL 2 ](HNEt 3 ) 2 ( I ), where L is 1,2-bis(methanesulfonamido)benzene, exhibiting the properties of a single-molecule magnet is synthesized and characterized. The electronic structure parameters of complex I are determined by paramagnetic NMR spectroscopy. They completely reproduce the results of less available methods of studying single-molecule magnets. The value of axial anisotropy of the magnetic susceptibility estimated for complex I (Δχ ax = 34.5 × 10 –32 m 3 at 20°C) is record-breaking among all transition metal complexes studied by the NMR method, which provides wide possibilities for the use of complex I as a paramagnetic label for structural biology or as a contrast agent and even a temperature sensor for medical diagnostics. The data obtained indicate the advantages of paramagnetic NMR spectroscopy as a method of investigation of the magnetic properties and electronic structures of highly anisotropic transition metal complexes, which are precursors of many functional materials.
30
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
A short history of<i>SHELX</i>
George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text