6533b833fe1ef96bd129c382

RESEARCH PRODUCT

Two pyrazolylborate dysprosium(III) and neodymium(III) single ion magnets modeled by a Radial Effective Charge approach

Juan M. Clemente-juanEugenio CoronadoJosé J. BaldovíAlejandro Gaita-ariño

subject

LanthanideField (physics)Point particleInorganic chemistrychemistry.chemical_element02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesNeodymiumMolecular physicsEffective nuclear charge0104 chemical sciences3. Good healthInorganic ChemistryCrystalchemistryMagnetMaterials ChemistryDysprosiumPhysical and Theoretical Chemistry0210 nano-technology

description

Abstract A Radial Effective Charge model based on a point charge approach is applied in order to study the magnetic behavior of two lanthanoid single ion magnets coordinated by pyrazole-based ligands that produce a D3h crystal field. We obtain the lowest-lying magnetic levels and the associated wave functions of Dy(H2BPzMe22)3 (1), and the tricapped NdTp3 (2), where H2BPzMe22 = dihydrobis(dimenthylpyrazolyl)borate and Tp = trispyrazolylborate. Results support the observed SMM behavior.

yearjournalcountryeditionlanguage
2013-12-01Polyhedron
https://doi.org/10.1016/j.poly.2013.01.034