Combined experimental and theoretical studies on a series of mononuclear Ln<sup>III</sup>single-molecule magnets: dramatic influence of remote substitution on the magnetic dynamics in Dy analogues
Kuheli Pramanik, Zvonko Jagličić, Radovan Herchel, Paula Brandão, Narayan Ch. Jana, Anangamohan Panja
Abstract
calculations for 1 and 6 are very similar, the POLY_ANISO module revealed weak dipolar interactions in both the compounds but significant antiferromagnetic interaction in 1, thereby justifying the experimental fact. The present work discloses that even a small substitution such as a methyl group can adequately increase the intermolecular separation, leading to several-fold enhanced effective energy barrier.
Topics & Concepts
IsostructuralChemistryLigand (biochemistry)CrystallographyIntermolecular forceAntiferromagnetismMoleculeAb initioLigand field theoryStereochemistryComputational chemistryIonPhysicsCrystal structureCondensed matter physicsBiochemistryOrganic chemistryReceptorMagnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal-Organic Frameworks: Synthesis and Applications