Two hexacoordinate Co(II) complexes [Co(hfac)(etpy)] (1) and [Co(hfac)(bzpyCl)] (2) were synthesized and spectrally and structurally characterized. The {CoON} chromophore adopts a geometry of the elongated tetragonal bipyramid with a small -rhombic component. This less common arrangement causes the magnetic data to need be analysed using the Griffith-Figgis model, instead of the commonly used spin-Hamiltonian with zero-field splitting parameters and . In the case of the elongated bipyramid for d complexes, the source of the magnetic anisotropy of an easy-axis type is the axial crystal field splitting . The CASSCF calculations followed by the NEVPT2 module confirm that the ground electronic term is quasi-degenerate owing to the splitting of the E () mother term. The lowest spin-orbit multiplets appear as four Kramers doublets belonging to the Γ irreducible representation of the double point group '. They exhibit a serious mixing of the |±1/2〉 and |±3/2〉 spins which reflects a sizable effect of the spin-orbit coupling. Both complexes exhibit field-supported slow magnetic relaxation governed by the Raman process.
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Phys Rev Lett
December 2024
RIKEN Cluster for Pioneering Research, Wako, Saitama 351-0198, Japan.
The molecular triangular lattice system, β^{'}-EtMe_{3}Sb[Pd(dmit)_{2}]_{2}, is considered as a candidate material for the quantum spin liquid state, although ongoing debates arise from recent controversial results. Here, the results of electron spin resonance and muon-spin relaxation measurements on β^{'}-EtMe_{3}Sb[Pd(dmit)_{2}]_{2} are presented. Both results indicate characteristic behaviors related to quasi-one-dimensional spin dynamics, whereas the direction of anisotropy found in electron spin resonance is in contradiction with previous theories.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Wuhan National High Magnetic Field Center and School of Physics, Huazhong University of Science and Technology, 430074 Wuhan, China.
The frustrated honeycomb spin model can stabilize a subextensively degenerate spiral spin liquid with nontrivial topological excitations and defects, but its material realization remains rare. Here, we report the experimental realization of this model in the structurally disorder-free compound GdZnPO. Using a single-crystal sample, we find that spin-7/2 rare-earth Gd^{3+} ions form a honeycomb lattice with dominant second-nearest-neighbor antiferromagnetic and first-nearest-neighbor ferromagnetic couplings, along with easy-plane single-site anisotropy.
View Article and Find Full Text PDFAlzheimers Dement
December 2024
Vanderbilt Memory and Alzheimer's Center, Vanderbilt University School of Medicine, Nashville, Tennessee, USA.
Introduction: The effects of sex and apolipoprotein E (APOE)-Alzheimer's disease (AD) risk factors-on white matter microstructure are not well characterized.
Methods: Diffusion magnetic resonance imaging data from nine well-established longitudinal cohorts of aging were free water (FW)-corrected and harmonized. This dataset included 4741 participants (age = 73.
J Phys Chem A
December 2024
Department of Chemical and Materials Engineering, University of Nevada Reno, Reno, Nevada 89557, United States.
Single-molecule magnets (SMMs) with slow relaxation of magnetization and blocking temperatures above that of liquid nitrogen are essential for practical applications in high-density data storage devices and quantum computers. A rapid and accurate prediction of the effective magnetic relaxation barrier () is needed to accelerate the discovery of high-performance SMMs. Using density functional theory and multireference calculations, we explored correlations between , partial atomic charges, and the anisotropic barrier for a series of sandwich-type lanthanide complexes containing cyclooctatetraene, substituted cyclopentadiene, phospholyl, boratabenzene, or borane ligands.
View Article and Find Full Text PDFCereb Cortex
December 2024
Brain Development Imaging Laboratories, Department of Psychology, San Diego State University, 6363 Alvarado Ct., San Diego, CA 92120, United States.
Middle-aged and older adults with autism spectrum disorder may be susceptible to accelerated neurobiological changes in striato- and thalamo-cortical tracts due to combined effects of typical aging and existing disparities present from early neurodevelopment. Using magnetic resonance imaging, we employed diffusion-weighted imaging and automated tract-segmentation to explore striato- and thalamo-cortical tract microstructure and volume differences between autistic (n = 29) and typical comparison (n = 33) adults (40 to 70 years old). Fractional anisotropy, mean diffusivity, and tract volumes were measured for 14 striato-cortical and 12 thalamo-cortical tract bundles.
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