Pressure-induced enhancement of magnetic-ordering temperature in an organic radical to 70 K: a magnetostructural correlation

Richard I Thomson, Christopher M Pask, Gareth O Lloyd, Masaki Mito, Jeremy M Rawson

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

The structure of the canted antiferromagnet beta-p-NCC6F4CNSSN (1) was determined from synchrotron powder-diffraction studies in the pressure range 021.6 kbar. Radical 1 crystallizes in the orthorhombic space group Fdd2, but undergoes an asymmetric contraction of the unit-cell size with increasing pressure. At the molecular level, this contraction of the unit cell is simultaneously accommodated by: 1) an increase in twist angle between aryl and heterocyclic rings; and 2) a shortening of the intermolecular S...N contacts, which propagate the magnetic-exchange pathway. DFT calculations based on the structures in this pressure range revealed an increase in the magnetic-exchange interaction (J) with increasing pressure, and an excellent correlation was observed between J and the magnetic-ordering temperature, which increased from 36 K at ambient pressure up to 70 K at 16 kbar.

Original languageEnglish
Pages (from-to)8629-8633
Number of pages5
JournalChemistry - A European Journal
Volume18
Issue number28
DOIs
Publication statusPublished - 9 Jul 2012

Keywords

  • dithiadiazolyl
  • density functional calculations
  • magnetic properties
  • powder diffraction
  • X-ray diffraction
  • ANTIFERROMAGNETIC-RESONANCE
  • DITHIADIAZOLYL RADICALS
  • WEAK FERROMAGNETISM
  • THIAZYL RADICALS
  • MOLECULAR MAGNET
  • CRYSTAL SOLVENT
  • EVAPORATION
  • TRANSITION
  • DEPENDENCE
  • COMPLEXES

Fingerprint Dive into the research topics of 'Pressure-induced enhancement of magnetic-ordering temperature in an organic radical to 70 K: a magnetostructural correlation'. Together they form a unique fingerprint.

Cite this