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Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA

DOI: 10.1039/D1CE00577D DOI Help

Authors: Jonathan G. Richardson (University of Edinburgh) , Asato Mizuno (Nagoya University) , Yoshiaki Shuku (Nagoya University) , Kunio Awaga (Nagoya University) , Neil Robertson (University of Edinburgh) , Carole A. Morrison (University of Edinburgh) , Mark R. Warren (Diamond Light Source) , David R. Allan (Diamond Light Source) , Stephen A. Moggach (The University of Edinburgh)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Crystengcomm , VOL 2

State: Published (Approved)
Published: May 2021
Diamond Proposal Number(s): 19178

Abstract: Magnetic bistability has previously been observed and evaluated in an organic thiazyl radical 1,3,5-triathia-2,4,6-triazapentalenyl (TTTA). Herein, the structure-pressure response of TTTA has been evaluated by X-ray diffraction, where a lack of a structural phase transition up to 4.6 GPa certifies that the paramagnetic suppression is caused by a steady decrease in the separation between the moieties containing the radical electron along the π-stacking chains. The intermolecular interactions throughout the crystal lattice have also been calculated using the PIXEL method, and highlight the relative strength of the inter-column interactions in the two known polymorphs of TTTA, which provides extra justification for the cause of the wide magnetic hysteresis and its response to pressure.

Subject Areas: Materials, Chemistry, Physics


Instruments: I19-Small Molecule Single Crystal Diffraction

Discipline Tags:

Organic Chemistry Material Sciences Physics Magnetism Chemistry

Technical Tags:

Diffraction High Pressure Single Crystal Diffraction