Issue 25, 2021

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

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
30 Apr 2021
Accepted
18 May 2021
First published
19 May 2021

CrystEngComm, 2021,23, 4444-4450

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

J. G. Richardson, A. Mizuno, Y. Shuku, K. Awaga, N. Robertson, C. A. Morrison, M. R. Warren, D. R. Allan and S. A. Moggach, CrystEngComm, 2021, 23, 4444 DOI: 10.1039/D1CE00577D

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