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Wiley, Angewandte Chemie International Edition, 52(56), p. 16571-16574

DOI: 10.1002/anie.201709650

Wiley, Angewandte Chemie, 52(129), p. 16798-16801

DOI: 10.1002/ange.201709650

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

Journal article published in 2017 by Lei Qin, Jared Singleton, Wei-Peng Chen, Hiroyuki Nojiri ORCID, Larry Engelhardt, Richard E. P. Winpenny ORCID, Yan-Zhen Zheng
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

AbstractChromium 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.