1. Redox, Magnetic, and Structural Properties of 1,3,2-Dithiazolyl Radicals. A Case Study on the Ternary Heterocycle S3N5C4
- Author
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T. M. Barclay, A. W. Cordes, N. A. George, R. C. Haddon, M. E. Itkis, M. S. Mashuta, R. T. Oakley, G. W. Patenaude, R. W. Reed, J. F. Richardson, and H. Zhang
- Subjects
Pyrazine ,Chemistry ,Radical ,General Chemistry ,Crystal structure ,Triclinic crystal system ,Biochemistry ,Acceptor ,Catalysis ,chemistry.chemical_compound ,Crystallography ,Colloid and Surface Chemistry ,Sublimation (phase transition) ,Cyclic voltammetry ,Ternary operation - Abstract
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. The compound is prepared by treatment of 5,6-dithiolo-1,2,5-thiadiazolo[3,4-b]pyrazine with S3N3Cl3 and purified by fractional sublimation in vacuo. The results of cyclic voltammetry and ESR analysis of TDP-DTA and related heterocyclic dithiazolyls indicate that the spin distributions and donor/acceptor properties of these radicals are extremely sensitive to the nature of the 4,5-substituents. The crystal structure of TDP-DTA has been determined at two temperatures. At 293 K, the crystals are triclinic, space group P1, with a = 4.4456(8), b = 8.407(2), c = 9.671(3) A, α = 71.34(2), β = 89.28(2), γ = 87.80(2)°, Z = 2 (for C4N5S3); at 150 K the crystals are triclinic, space group P1, with a = 7.489(7), b = 9.593(4), c = 10.759(6) A, α = 65.77(4), β = 74.10(6), γ = 74.64(6)°, Z = 2 (for C8N10S6). At 293 K the structure consists of ribbons of TDP-DTA radicals packed in a slip...
- Published
- 1998
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