Modulation of the Magnetic Anisotropy via the Ligand Field in Sandwiched Erbium Complexes DOI
Sakshi Nain, Md. Ehesan Ali

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 64(1), P. 275 - 285

Published: Dec. 27, 2024

Among lanthanide-based single-molecule magnets (SMMs), erbium(III) is a Kramers ion, apart from dysprosium(III), which provides magnetic bistability in the presence of suitable coordination environment. However, Er-based SMMs exhibit significantly less anisotropy than Dy because their prolate electronic density necessitates equatorially correlated ligands to minimize charge contact with Er atom. Here, this work, we have computationally investigated heteroleptic organometallic complexes an Er(III) atom sandwiched between two distinct cyclic rings (five- and eight-membered) aim tuning via exploiting ligand field. The field manipulated by substituting one C atoms five-membered ring heteroatoms (groups 14 15), while other (eight-membered) remains intact. properties been using first-principles-based ab initio approaches. distortion planarity generated larger heteroatom affects bonding consequently structure. This observed modify axis, thereby improving relaxation barrier.

Language: Английский

Synthesis and characterization of isostructural annulated actinocenes DOI
Dominic R. Russo, Jacob A. Branson, Sheridon N. Kelly

et al.

Chemical Communications, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

An isostructural series of four annulated actinocene complexes, M(hdcCOT) 2 (M = Th, U, Np, Pu), are reported.

Language: Английский

Citations

1
Berkelium–carbon bonding in a tetravalent berkelocene DOI Open Access
Dominic R. Russo, Alyssa Gaiser, Amy N. Price

et al.

Science, Journal Year: 2025, Volume and Issue: 387(6737), P. 974 - 978

Published: Feb. 27, 2025

Interest in actinide–carbon bonds has persisted since actinide organometallics were first investigated for applications isotope separation during the Manhattan Project. Transplutonium are rarely isolated and structurally characterized, likely owing to limited inventories, a scarcity of suitable laboratory infrastructure, intrinsic difficulties with anaerobic conditions required. Herein, we report discovery an organometallic “berkelocene” complex prepared from 0.3 milligrams berkelium-249. Single-crystal x-ray diffraction shows tetravalent berkelium ion between two substituted cyclooctatetraene ligands, resulting formation berkelium–carbon bonds. The coordination berkelocene resembles that uranocene, calculations show 5f orbitals engage covalent overlap δ-symmetry cyclooctatetraenide ligand π system. Charge transfer ligands is diminished relative uranocene other actinocenes, which maximizes contributions stable, half-filled 7 configuration berkelium.

Language: Английский

Citations

1
Beating the Size-Dependent Limit with Spin–Lattice Coupling in Nanomagnetism DOI
Mengmeng Li, Xiuyu Wang

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 6, 2025

Further miniaturization of magnetic nanomaterials is intrinsically accompanied by a reduction in spin ordered domains, resulting size-dependent behaviors. Consequently, longstanding roadblock the advancement nanodevices based on absence method to beat limit nanomagnetism. Here, we discover and exploit spin–lattice coupling effect three-dimensional freestanding nanoparticles for first time. The so-called involves varying configuration exchange constant interactions induced lattice deformations. We correlate g-shift employ two-dimensional resonance imaging visualize g-factor. As constants decrease (even ∼1%), positive offset increases significantly, signaling stronger coupling, which induces transition from paramagnetism surperparamagnetism, thereby effectively beating limit.

Language: Английский

Citations

0
Quantum Spin Wave Excited from a Cr–Dy Single-Molecule Magnet DOI
Bo‐Kai Ling,

Ming Chang,

Yuan-Qi Zhai

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: 147(13), P. 10935 - 10942

Published: March 1, 2025

The efficient excitation and controlled propagation of nanoscale spin waves remain significant challenges, as their intrinsic dispersion relations are primarily determined by magnetic dipole exchange interactions. Here we report the first observed coexistence quantum wave single-molecule magnet behavior in a mixed chromium(III) dysprosium(III) complex, namely Dy4Cr2(μ3-F)2(mdea)3(piv)10, which shows large ferrimagnetic ground moment with restricted tunneling gap (<3.8 × 10–7 cm–1) up to nine levels, leading an axial anisotropic energy barrier 12 cm–1 opened hysteresis loop at 0.4 K. More importantly, quantized excitations ranging from 108 352 GHz have been using inelastic neutron scattering spectroscopy, data can be well explained L&E-band theory Δ/2 = 2.08 ε(q) 2.5 cm–1, providing unambiguous evidence for waves.

Language: Английский

Citations

0
Phosphonate Lanthanide Carbonate Cages: Remarkably Aggregated Lanthanide-Oxo Cores with Removable Cation Templates DOI

C. H. Wei,

Xiaojuan Li, Yi Liu

et al.

Crystal Growth & Design, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 24, 2025

Language: Английский

Citations

0
Modulation of the Magnetic Anisotropy via the Ligand Field in Sandwiched Erbium Complexes DOI
Sakshi Nain, Md. Ehesan Ali

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 64(1), P. 275 - 285

Published: Dec. 27, 2024

Among lanthanide-based single-molecule magnets (SMMs), erbium(III) is a Kramers ion, apart from dysprosium(III), which provides magnetic bistability in the presence of suitable coordination environment. However, Er-based SMMs exhibit significantly less anisotropy than Dy because their prolate electronic density necessitates equatorially correlated ligands to minimize charge contact with Er atom. Here, this work, we have computationally investigated heteroleptic organometallic complexes an Er(III) atom sandwiched between two distinct cyclic rings (five- and eight-membered) aim tuning via exploiting ligand field. The field manipulated by substituting one C atoms five-membered ring heteroatoms (groups 14 15), while other (eight-membered) remains intact. properties been using first-principles-based ab initio approaches. distortion planarity generated larger heteroatom affects bonding consequently structure. This observed modify axis, thereby improving relaxation barrier.

Language: Английский

Citations

0