Superb Alkali-Resistant DyIII2NiII4 Single-Molecule Magnet. Panpan Yang, Huancheng Hu, Shui Yu, Dongcheng Liu, Yuning Liang, Huahong Zou, Fupei Liang, Zilu Chen.
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Journal of Chemical Theory and Computation 2022, 18 Youll love the Double Sided Magnetic Free Standing Dry Erase Board at Wayfair - Great Deals on all Dcor & Pillows products with Free Shipping on most. Quasi-Relativistic Calculation of EPR g Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance.
The Journal of Physical Chemistry C 2022, 126 Hidden Heterometallic Interaction Emerging from Resonant Inelastic X-ray Scattering in Luminescent Tb–Pt Molecules. Takefumi Yoshida, Ahmed Shabana, David Chukwuma Izuogu, Kentaro Fuku, Tetsu Sato, Haitao Zhang, Yukina Yamamoto, Jun Kamata, Hitomi Ohmagari, Miki Hasegawa, Goulven Cosquer, Shinya Takaishi, Takuma Kaneko, Tomoya Uruga, Yasuhiro Iwasawa, Masahiro Yamashita.Together, these results provide a potentially generalizable route to enhanced nd–4f magnetic exchange, revealing opportunities for the design of new nd-4f single-molecule magnets and bulk magnetic materials. Although a Raman magnetic relaxation process is dominant for both 1-Tb and 1-Dy, an extracted thermal relaxation barrier of U eff = 68 cm –1 for 1-Dy is the largest yet reported for a complex containing a paramagnetic 4d metal center. Additional characterization of 1-Tb and 1-Dy by ac magnetic susceptibility measurements reveals that both compounds exhibit slow magnetic relaxation. This ferromagnetic exchange gives rise to an S = 15/2 ground state for 1-Gd and one of the largest magnetic exchange constants involving Gd III observed to date, with J Gd–Mo = +16.1(2) cm –1. Magnetic susceptibility data support similar electron delocalization and ferromagnetic Ln–Mo exchange for 1-Gd, 1-Tb, and 1-Dy.
Electron paramagnetic resonance spectra collected for 1-Y in a tetrahydrofuran solution show large 89Y hyperfine coupling constants of A ⊥ = 23 MHz and A || = 26 MHz, indicating the presence of significant yttrium-localized unpaired electron density. UV–Vis–NIR diffuse reflectance spectra and DFT calculations of 1-Ln reveal a low-energy metal-to-metal charge transfer transition assigned to charge transfer from the singly occupied 4d z 2 orbital of Mo V to the empty 5d orbitals of the lanthanides (4d in the case of 1-Y), mediated by sulfur-based 3p orbitals. We report the synthesis and characterization of the trinuclear 4d–4f compounds, 1-Ln (Ln = Y, Gd, Tb, Dy), containing the highly polarizable MoS 4 3 – bridging unit.
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