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

Research output: Contribution to journalArticlepeer-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 (ST=16) that is confirmed by magnetization studies up to 20 Tesla. The {Cr8Dy8} wheel is a single-molecule magnet.

Original languageEnglish
Pages (from-to)16571-16574
Number of pages4
JournalAngewandte Chemie - International Edition
Volume56
Issue number52
DOIs
Publication statusPublished - 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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