Journal ArticleDOI
Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl
Jaclyn L. Brusso,Owen P. Clements,Robert C. Haddon,Mikhail E. Itkis,Alicea A. Leitch,Richard T. Oakley,Robert W. Reed,John F. Richardson +7 more
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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.read more
Citations
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Radical−Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior
Elisabeth M. Fatila,R. Alex Mayo,Mathieu Rouzières,Mathieu Rouzières,Michael C. Jennings,Pierre Dechambenoit,Pierre Dechambenoit,Dmitriy V. Soldatov,Corine Mathonière,Corine Mathonière,Rodolphe Clérac,Rodolphe Clérac,Claude Coulon,Claude Coulon,Kathryn E. Preuss +14 more
TL;DR: In this paper, supramolecular synthons based on radical-radical recognition are employed to generate switchable structural and magnetic properties of the La(hfac)3(pyDTDA)2 coordination complex.
Journal ArticleDOI
Strong magnetic interactions through weak bonding interactions in organometallic radicals: combined experimental and theoretical study.
TL;DR: The authors' calculations indicated that spin density in these complexes is strongly delocalized on the NiS2 moiety, with up to 20% on the Cp ring, and CpCp and Cpdithiolene overlap interactions have been identified as responsible for antiferromagnetic couplings.
Journal ArticleDOI
Isostructural bis-1,2,3-thiaselenazolyl dimers.
Alicea A. Leitch,Xueyang Yu,Craig M. Robertson,Richard A. Secco,John S. Tse,Richard T. Oakley +5 more
TL;DR: Comparison of the three crystal structures suggests that the compressibility of [2a](2), and hence the response of its conductivity to pressure, is superior to that of [ 2b,c](2).
Journal ArticleDOI
Pancake π–π Bonding Goes Double: Unexpected 4e/All-Sites Bonding in Boron- and Nitrogen-Doped Phenalenyls
TL;DR: It is shown that the B- or N-doped PLYs, usually considered closed-shell and therefore trifling, can be rendered open-shell singlet by proper edge substitutions, and the unusual double π-π bonding motif discovered in these PLY analogues may broaden the landscape of, and find new applications for, intermolecular covalent bonding interactions.
Journal ArticleDOI
Structural, Magnetic and Optical Studies of the Polymorphic 9′-Anthracenyl Dithiadiazolyl Radical
Yassine Beldjoudi,Ana B. Arauzo,Javier Campo,Emma L. Gavey,Melanie Pilkington,Mitchell A. Nascimento,Jeremy M. Rawson +6 more
TL;DR: The fluorescent 9'-anthracenyl-functionalized dithiadiazolyl radical exhibits four structurally determined crystalline phases, all of which are monomeric in the solid state.
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.
Jaclyn L. Brusso,Owen P. Clements,Robert C. Haddon,Mikhail E. Itkis,Alicea A. Leitch,Richard T. Oakley,Robert W. Reed,John F. Richardson +7 more
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
a T. M. Barclay,A. W. Cordes,b N. A. George,c R. C. Haddon,c M. E. Itkis,d M. S. Mashuta,b G. W. Patenaude,b R. W. Reed,d and J. F. Richardson +8 more
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
Gordon D. McManus,Jeremy M. Rawson,Neil Feeder,Joost van Duijn,Eric J. L. McInnes,Juan J. Novoa,Ramón Burriel,Fernando Palacio,Patricia B. Oliete +8 more
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.