A giant spin molecule with ninety-six parallel unpaired electrons

Lei Qin, Hao Lan Zhang, Yuan Qi Zhai, Hiroyuki Nojiri, Christian Schröder, Yan Zhen Zheng

Research output: Contribution to journalArticlepeer-review

Abstract

Unpaired electrons which are essential for organic radicals and magnetic materials are hardly to align parallel, especially upon the increasing of spin numbers. Here, we show that the antiferromagnetic interaction in the largest Cr(III)-RE (rare earth) cluster {Cr10RE18} leads to 96 parallel electrons, forming a ground spin state ST of 48 for RE = Gd. This is so far the third largest ground spin state achieved in one molecule. Moreover, by using the classical Monte Carlo simulation, the exchange coupling constants Jij can be determined. Spin dynamics simulation reveals that the strong Zeeman effects of 18 Gd(III) ions stabilize the ground ferrimagnetic state and hinder the magnetization reversals of these spins. In addition, the dysprosium(III) analog is an exchange-biasing single-molecule magnet. We believe that the ferrimagnetic approach and analytical protocol established in this work can be applied generally in constructing and analyzing giant spin molecules.

Original languageEnglish
Article number102350
JournaliScience
Volume24
Issue number4
DOIs
Publication statusPublished - 2021 Apr 23

Keywords

  • Chemistry
  • Inorganic Chemistry
  • Magnetism
  • Molecular Inorganic Chemistry

ASJC Scopus subject areas

  • General

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