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Journal ArticleDOI

Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl

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TLDR
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.
Abstract
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↓ = 297(1) K and TC↑ = 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 π-dimer stacks, while that of HT-PDTA comprises slipped stacks of π-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 π-stacked rings.

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Book ChapterDOI

Chalcogen–Nitrogen Radicals

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Room-Temperature Magnetic Bistability in a Salt of Organic Radical Ions.

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References
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Journal ArticleDOI

Magneto-Opto-Electronic Bistability in a Phenalenyl-Based Neutral Radical

TL;DR: A new organic molecular conductor, based on a spiro-biphenalenyl neutral radical, simultaneously exhibits bistability in three physical channels: electrical, optical, and magnetic.
Journal ArticleDOI

Room-Temperature Magnetic Bistability in Organic Radical Crystals

TL;DR: A large first-order magnetic phase transition in an organic radical, 1,3,5-trithia-2,4,6-triazapentalenyl, is described and may have applications in thermal sensors, switching units, and information storage media based on organic radical crystals.
Journal ArticleDOI

Bistabilities in 1,3,2-dithiazolyl radicals.

TL;DR: A mechanism for the interconversion of the two phases of PDTA and related structures is proposed in which hysteretic behavior arises from cooperative effects associated with the breaking and making of a lattice-wide network of intermolecular S - - -N' and/or S- - -S' interactions.
Journal ArticleDOI

Redox, magnetic, and structural properties of 1,3,2-dithiazolyl radicals. a case study on the ternary heterocycle s3n5c4

TL;DR: In this article, the characterization of the heterocyclic radical 1,2,5-thiadiazolo [3,4-b]-1,3,2-dithiazolo[3, 4-b]pyrazin-2-yl (TDP-DTA) is described.
Journal ArticleDOI

Synthesis, crystal structures, electronic structure and magnetic behaviour of the trithiatriazapentalenyl radical, C2S3N3

TL;DR: In this article, a novel synthesis of the title compound, C2S3N3======677(1) is reported, which is based on DFT calculations and X-ray diffraction in the region 300-225k and reveals a regular π-stacked structure.
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