Intramolecular bridging strategies to suppress two-phonon Raman spin relaxation in dysprosocenium single-molecule magnets
Jakob K. Staab, Md. Kholilur Rahman, Nicholas F. Chilton
Abstract
= ±13/2 content. Even though the bridging design principle is successful at progressively reshaping the low-energy DOS, the introduction of linker atoms in the equatorial plane successively degrades magnetic anisotropy, suggesting the importance of refined design of the linker chemistry. The accuracy of our results emphasises the value of a generic periodic solvent embedding model, such that it permits the modelling of molecular spin dynamics in the condensed phase without knowledge of a crystal structure. This allows the study of hypothetical molecules or aggregates under real-world conditions, which we expect to have utility beyond the field of molecular magnetism.
Topics & Concepts
Intramolecular forceMagnetAnisotropySingle-molecule magnetRaman spectroscopyMaterials scienceCyclopentadienyl complexMagnetic anisotropyMoleculeRelaxation (psychology)Condensed matter physicsBridging (networking)HysteresisMagnetic relaxationNuclear magnetic resonanceCrystallographyChemical physicsChemistryMagnetic fieldMagnetizationPhysicsStereochemistryOpticsComputer networkPsychologyComputer scienceOrganic chemistryQuantum mechanicsCatalysisBiochemistrySocial psychologyMagnetism in coordination complexesAdvanced NMR Techniques and ApplicationsOrganic and Molecular Conductors Research