Search results for "Single-Molecule Magnets"
showing 6 items of 16 documents
Ferromagnetic exchange in a twisted, oxime-bridged [mniii2] dimer
2012
Journal article The dimeric complex [MnIII2(Naphth-sao)2(Naphth-saoH)2(MeOH)2][middle dot]4MeOH (1[middle dot]4MeOH), acts as a simple model complex with which to examine the magneto-structural relationship in polymetallic, oxime-bridged MnIII complexes. Dc magnetic susceptibility studies reveal that ferromagnetic exchange is mediated through the heavily twisted Mn-O-N-Mn moiety (J = +1.24 cm-1) with magnetisation measurements at low temperatures and high fields suggesting significant anisotropy. Simulations of high field, high frequency EPR data reveal a single ion anisotropy, D(MnIII) = -3.94 cm-1. Theoretical studies on simplified model complexes of 1 reveal that calculated values of the…
Asymmetric Ring Opening in Tetrazine‐based Ligand Affording a Tetranuclear Opto‐Magnetic Ytterbium Complex
2021
We report the formation of a tetranuclear lanthanide cluster, [Yb 4 (bpzch) 2 (fod) 10 ] ( 1 ), which occurs from a serendipitous ring opening of the functionalized tetrazine bridging ligand, bpztz (3,6‐dipyrazin‐2‐yl‐1,2,4,5‐tetrazine) upon reacting with Yb(fod) 3 (fod ‐ = 6,6,7,7,8,8,8‐heptafluoro‐2,2‐dimethyl‐3,5‐octandionate). Compound 1 was structurally elucidated via single‐crystal X‐ray crystallography and subsequently magnetically and spectroscopically characterized to analyse its magnetisation dynamics and its luminescence behaviour. Computational studies validate the observed M J energy levels attained by spectroscopy and provides a clearer picture of the slow relaxation of the ma…
Triplet-State Position and Crystal-Field Tuning in Opto‐Magnetic Lanthanide Complexes : Two Sides of the Same Coin
2019
Lanthanide complex‐based luminescence thermometry and single‐molecule magnetism are two effervescent research fields, owing to the great promise they hold from an application standpoint. The high thermal sensitivity achievable, their contactless nature, along with sub‐micrometric spatial resolution make these luminescent thermometers appealing for accurate temperature probing in miniaturized electronics. To that end, single‐molecule magnets (SMMs) are expected to revolutionize the field of spintronics, thanks to the improvements made in terms of their working temperature – now surpassing that of liquid nitrogen – and manipulation of their spin state. Hence, the combination of such opto‐magn…
Dynamic Magnetic and Optical Insight into a High Performance Pentagonal Bipyramidal Dy(III) Single-Ion Magnet
2017
The pentagonal bipyramidal single-ion magnets (SIMs) are among the most attractive prototypes of high-performance single-molecule magnets (SMMs). Here, a fluorescence-active phosphine oxide ligand CyPh2PO (=cyclohexyl(diphenyl)phosphine oxide) was introduced into [Dy(CyPh2PO)2(H2O)5]Br3⋅2 (CyPh2PO)⋅EtOH⋅3 H2O, and combined dynamic magnetic measurement, optical characterization, ab initio calculation, and magneto-optical correlation of this high-performance pseudo-D5h DyIII SIM with large Ueff (508(2) K) and high magnetic hysteresis temperature (19 K) were performed. This work provides a deeper insight into the rational design of promising molecular magnets. peerReviewed
Spin crossover cobalt(II) molecular nanomagnets as dynamic molecular systems
2022
Los complejos mononucleares de iones metálicos paramagnéticos de la primera serie de transición con ligandos "no-inocentes" hechos a medida han surgido recientemente como prototípicos de sistemas moleculares dinámicos (DMSs, del inglés “dynamic molecular systems”). El enorme impacto de los DMSs en varios dominios de la nanociencia y nanotecnología molecular se debe a su capacidad para ejecutar funciones específicas y selectivas bajo el control de un estímulo externo que modula adecuadamente sus propiedades estructurales y electrónicas (ópticas, redox y magnéticas). En esta Tesis Doctoral, a lo largo de siete capítulos describimos la química y las propiedades físicas de una clase única de na…
Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems
2018
The field of molecular magnetism studies the magnetic properties of molecular systems as opposed to conventional metal-based magnets. The high chemical modifiability of the constituting molecules makes such materials highly versatile, and the small size of the building blocks leads to the rise of various quantum mechanical phenomena, such as tunneling and entanglement. These phenomena can then be further utilized in the construction of nanoscale quantum devices. This dissertation describes computational and theoretical studies in the field of molecular magnetism using state-of-the-art quantum chemical methods based on ab initio multireference approaches and broken symmetry density functional t…