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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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Citations
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7 Oxygen, sulfur, selenium and tellurium

TL;DR: A review of the literature during 2004 concerning the chemistry of the Group 16 elements is presented in this article, where an emphasis is placed on molecular species with novel structures or unusual reactivity.
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Effect of Substitution on the Hysteretic Phase Transition in a Bistable Phenalenyl-Based Neutral Radical Molecular Conductor

TL;DR: substitutional doping was applied to [Bu]2 B by crystallizing solid solutions of bistable [Bu]:2 B and its non-radical-containing counterpart [Bu]; the abrupt transformation of the crystal structure to that of the pure [Bu?]2 Be crystal packing was observed, accompanied by a complete collapse of the hysteresis loop.
Journal ArticleDOI

Heisenberg Spin Chains via Chalcogen Bonding: Noncovalent S···O Contacts Enable Long-Range Magnetic Order.

TL;DR: In this article, the self-assembly of Mn(II) metal ions with 1 leads to the formation of [Mn(hfac)2]3(1)2 that exhibits a Mn-II-radical-Mn-II)-radical-mn(2) linear arrangement of three Mn-hfac2 units bridged by two radical ligands.
Journal ArticleDOI

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

TL;DR: In this paper, 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.
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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