An interplay between metal–fullerene and metal–metal bonding in molecular magnetism of erbium metallofullerenes DOI
R. B. Zaripov, Fupin Liu,

Marco Rosenkranz

et al.

Inorganic Chemistry Frontiers, Journal Year: 2024, Volume and Issue: 11(20), P. 7126 - 7141

Published: Jan. 1, 2024

An interplay between magnetic anisotropy, Er⋯Er coupling, and bonding interactions in erbium mono- dimetallofullerenes is studied by EPR, photoluminescence, SQUID magnetometry, ab initio calculations.

Language: Английский

Dynamic magnetic characteristics and hysteresis behaviors of X540@Y540: a Monte Carlo study DOI
Bo-chen Li, Wei Wang,

Dan Lv

et al.

Physica A Statistical Mechanics and its Applications, Journal Year: 2025, Volume and Issue: unknown, P. 130446 - 130446

Published: Feb. 1, 2025

Language: Английский

Citations

2
Pyramidal Nd2ScN inside an icosahedral C80 cage DOI
Wei Yang, Yaofeng Wang, Alexey A. Popov

et al.

Inorganic Chemistry Frontiers, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

A pyramidal Nd 2 ScN cluster was trapped in a C 80 fullerene cage. The precise structure unambiguously elucidated by single crystal X-ray diffraction with four sites of the light N atom.

Language: Английский

Citations

0
Anomalous Magnetic Hysteresis up to 20 K in a Non‐Kramers Light‐Lanthanide Single‐Molecule Magnet DOI Open Access
Xinyi Han,

Zhanxin Jiang,

Ziqi Hu

et al.

Angewandte Chemie International Edition, Journal Year: 2025, Volume and Issue: unknown

Published: March 10, 2025

Abstract Light‐lanthanides (Ln), despite their widespread uses in commercial permanent magnets, are among the least explored metal elements as building blocks of single‐molecule magnets (SMMs) due to smaller magnetic moments well weaker spin–orbit couplings than those heavy‐Ln counterparts, and so far, only a neodymium (Nd) complex has been reported showing small hysteresis at 2 K. Here, we report low‐coordination praseodymium (Pr) complex, namely, Pr@C 81 N, featuring non‐Kramers trivalent Pr ion entrapped within an azafullerene cage behaving first Pr‐based SMM. Although weak nonaxial ligand field imposed by carbon on integer‐spin Pr(III) elicits nondegenerate spin states, N shows anomalous up 20 K using sweep rate Oe/s, which is highest temperature all light‐Ln SMMs. In addition ideally minimized spin–phonon coupling low coordination, origin such unexpected bistability for likely lies nuclear sublevels arising from large hyperfine coupling, feature distinct electronic magnetizations highly mixed ground state.

Language: Английский

Citations

0
Anomalous Magnetic Hysteresis up to 20 K in a Non‐Kramers Light‐Lanthanide Single‐Molecule Magnet DOI Open Access
Xinyi Han,

Zhanxin Jiang,

Ziqi Hu

et al.

Angewandte Chemie, Journal Year: 2025, Volume and Issue: unknown

Published: March 10, 2025

Abstract Light‐lanthanides (Ln), despite their widespread uses in commercial permanent magnets, are among the least explored metal elements as building blocks of single‐molecule magnets (SMMs) due to smaller magnetic moments well weaker spin–orbit couplings than those heavy‐Ln counterparts, and so far, only a neodymium (Nd) complex has been reported showing small hysteresis at 2 K. Here, we report low‐coordination praseodymium (Pr) complex, namely, Pr@C 81 N, featuring non‐Kramers trivalent Pr ion entrapped within an azafullerene cage behaving first Pr‐based SMM. Although weak nonaxial ligand field imposed by carbon on integer‐spin Pr(III) elicits nondegenerate spin states, N shows anomalous up 20 K using sweep rate Oe/s, which is highest temperature all light‐Ln SMMs. In addition ideally minimized spin–phonon coupling low coordination, origin such unexpected bistability for likely lies nuclear sublevels arising from large hyperfine coupling, feature distinct electronic magnetizations highly mixed ground state.

Language: Английский

Citations

0
Structural, electronic, and magnetic properties of M12C80 clusters (M = Mo, W): A new class of magnetic fullerene-like materials DOI
Lu Wang, Jingjing Guo,

Peng-Bo Liu

et al.

Computational Materials Science, Journal Year: 2025, Volume and Issue: 253, P. 113848 - 113848

Published: March 25, 2025

Language: Английский

Citations

0
Thirty Years of Hide-and-Seek: Capturing Abundant but Elusive MIII@C3v(8)-C82 Isomer, and the Study of Magnetic Anisotropy Induced in Dy3+ Ion by the Fullerene π-Ligand DOI Creative Commons
Wei Yang,

Matheus Barbosa,

A. Alfonsov

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(36), P. 25328 - 25342

Published: Sept. 2, 2024

Our knowledge about endohedral metallofullerenes (EMFs) is restricted to the structures with sufficient kinetic stability be extracted from arc-discharge soot and processed by chromatographic structural techniques. For most abundant rare-earth monometallofullerene M

Language: Английский

Citations

3
Fullerene rotation dictated by benzene–fullerene interactions DOI Creative Commons
Yaofeng Wang, Fupin Liu

Inorganic Chemistry Frontiers, Journal Year: 2024, Volume and Issue: 11(12), P. 3458 - 3464

Published: Jan. 1, 2024

The temperature-driven dynamics of Dy 2 ScN@C 80 in the crystal was rigorously visualized with single X-ray diffraction, indicating a surprising effect benzene positions dictating fullerene rotation.

Language: Английский

Citations

2
Capturing Metal Fluoride inside a Carbon Cage DOI

Ya Zhao,

Ziqi Hu,

Panfeng Chuai

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(25), P. 17003 - 17008

Published: June 12, 2024

We report here a new type of metal fluoride cluster that can be stabilized inside fullerene via in situ fluorine encapsulation followed by exohedral trifluoromethylation, giving rise to rare-earth clusterfullerenes (FCFs) M2F@C80(CF3) (M = Gd and Y). The molecular structure Gd2F@C80(CF3) was unambiguously determined single-crystal X-ray analysis show μ2-fluoride-bridged Gd–F–Gd with short Gd–F bonds 2.132(7) 2.179(7) Å. 19F NMR spectrum the diamagnetic Y2F@C80(CF3) confirms existence endohedral F atom, which exhibits triplet large 19F–89Y coupling constant 74 Hz high temperature sensitivity chemical shift 0.057 ppm/K. Theoretical studies reveal ionic Y–F bonding nature arising from highest electronegativity element an electronic configuration [Y2F]5+@[C80]5– open-shell carbon cage, thus necessitates stabilization FCFs trifluoromethylation.

Language: Английский

Citations

2
The hidden features of fullerene rotation in the crystal lattice DOI Creative Commons

Yajuan Hao,

Yaofeng Wang, C. Feiler

et al.

Inorganic Chemistry Frontiers, Journal Year: 2024, Volume and Issue: 11(19), P. 6343 - 6349

Published: Jan. 1, 2024

Variable-temperature single-crystal X-ray diffraction elaborated the phase transition in Sc 3 N@C 70 crystals and allowed to distinguish hidden static disorder from dynamic caused by thermal motion.

Language: Английский

Citations

1
An interplay between metal–fullerene and metal–metal bonding in molecular magnetism of erbium metallofullerenes DOI
R. B. Zaripov, Fupin Liu,

Marco Rosenkranz

et al.

Inorganic Chemistry Frontiers, Journal Year: 2024, Volume and Issue: 11(20), P. 7126 - 7141

Published: Jan. 1, 2024

An interplay between magnetic anisotropy, Er⋯Er coupling, and bonding interactions in erbium mono- dimetallofullerenes is studied by EPR, photoluminescence, SQUID magnetometry, ab initio calculations.

Language: Английский

Citations

1