Quantum Monte Carlo Simulations and High-Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero-Spin Ring

Lei Qin; Jared Singleton; Wei Peng Chen; Hiroyuki Nojiri; Larry Engelhardt; Richard E.P. Winpenny; Yan Zhen Zheng

doi:10.1002/anie.201709650

Quantum Monte Carlo Simulations and High-Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero-Spin Ring

Lei Qin, Jared Singleton, Wei Peng Chen, Hiroyuki Nojiri, Larry Engelhardt, Richard E.P. Winpenny, Yan Zhen Zheng

Institute for Materials Research (IMR)

Research output: Contribution to journal › Article › peer-review

29 Citations (Scopus)

Abstract

Chromium lanthanide heterometallic wheel complexes {Cr₈Ln₈} (Ln=Gd, Dy and Y) with alternating metal centres are presented. Quantum Monte Carlo simulations reveal antiferromagnetic exchange-coupling constants with an average of 2.1 K within the {Cr₈Gd₈} wheel, which leads to a large ground spin state (S_T=16) that is confirmed by magnetization studies up to 20 Tesla. The {Cr₈Dy₈} wheel is a single-molecule magnet.

Original language	English
Pages (from-to)	16571-16574
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	56
Issue number	52
DOIs	https://doi.org/10.1002/anie.201709650
Publication status	Published - 2017 Dec 22

Keywords

chromium
cyclic coordination clusters
exchange coupling
lanthanides
single-molecule magnets

ASJC Scopus subject areas

Catalysis
Chemistry(all)

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Quantum Monte Carlo Simulations and High-Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero-Spin Ring. / Qin, Lei; Singleton, Jared; Chen, Wei Peng; Nojiri, Hiroyuki; Engelhardt, Larry; Winpenny, Richard E.P.; Zheng, Yan Zhen.

In: Angewandte Chemie - International Edition, Vol. 56, No. 52, 22.12.2017, p. 16571-16574.

Research output: Contribution to journal › Article › peer-review

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title = "Quantum Monte Carlo Simulations and High-Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero-Spin Ring",

abstract = "Chromium lanthanide heterometallic wheel complexes {Cr8Ln8} (Ln=Gd, Dy and Y) with alternating metal centres are presented. Quantum Monte Carlo simulations reveal antiferromagnetic exchange-coupling constants with an average of 2.1 K within the {Cr8Gd8} wheel, which leads to a large ground spin state (ST=16) that is confirmed by magnetization studies up to 20 Tesla. The {Cr8Dy8} wheel is a single-molecule magnet.",

keywords = "chromium, cyclic coordination clusters, exchange coupling, lanthanides, single-molecule magnets",

author = "Lei Qin and Jared Singleton and Chen, {Wei Peng} and Hiroyuki Nojiri and Larry Engelhardt and Winpenny, {Richard E.P.} and Zheng, {Yan Zhen}",

note = "Funding Information: This work was supported by NSFC (21473129, 21620102002, and 21773130), “National Young 1000-Plan” program, the Cyrus Chung Ying Tang Foundation and Wuhan National High-Magnetic Field Center (2015KF06).",

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AU - Chen, Wei Peng

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AU - Engelhardt, Larry

AU - Winpenny, Richard E.P.

AU - Zheng, Yan Zhen

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AB - Chromium lanthanide heterometallic wheel complexes {Cr8Ln8} (Ln=Gd, Dy and Y) with alternating metal centres are presented. Quantum Monte Carlo simulations reveal antiferromagnetic exchange-coupling constants with an average of 2.1 K within the {Cr8Gd8} wheel, which leads to a large ground spin state (ST=16) that is confirmed by magnetization studies up to 20 Tesla. The {Cr8Dy8} wheel is a single-molecule magnet.

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