Bistability and the phase transition in 1,3,2-dithiazolo[4,5-b]pyrazin-2-yl.

نویسندگان

  • Jaclyn L Brusso
  • Owen P Clements
  • Robert C Haddon
  • Mikhail E Itkis
  • Alicea A Leitch
  • Richard T Oakley
  • Robert W Reed
  • John F Richardson
چکیده

The molecular radical 1,3,2-dithiazolo[4,5-b]pyrazin-2-yl (PDTA) exhibits magnetic bistability just above room temperature, undergoing a well-defined hysteretic phase change with TC downward arrow = 297(1) K and TC upward arrow = 343(1) K. The crystal structures of the two phases of PDTA have been determined by single-crystal X-ray diffraction at 323(2) K. LT-PDTA consists of diamagnetic (S = 0) nearly superimposed pi-dimer stacks, while that of HT-PDTA comprises slipped stacks of pi-radicals (S = 1/2). The structural interconversion is suggested to proceed via the cooperative breaking and making of intermolecular S- - -N interactions and an inversion symmetry-preserving "domino cascade" of the pi-stacked rings.

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عنوان ژورنال:
  • Journal of the American Chemical Society

دوره 126 45  شماره 

صفحات  -

تاریخ انتشار 2004