67862-38-8Relevant academic research and scientific papers
Novel Bonding Modes in Metallo-Dithiadiazolyl Complexes: Preparation and Crystal Structures of *MeCN and *2PhMe
Banister, Arthur J.,Gorrell, Ian B.,Lawrence, Simon E.,Lehmann, Christian W.,May, Iain,et al.
, p. 1779 - 1780 (1994)
Reaction of with in MeCN leads to *MeCN, which decomposes in toluene to give a novel trimetallic species, *2PhMe; the structures of both compounds are reported.
Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals
Robinson, Sean W.,Haynes, Delia A.,Rawson, Jeremy M.
, p. 10205 - 10211 (2013)
The crystal structure of a novel dithiadiazolyl co-crystal, the second such co-crystal to be reported, has been determined, and is described in the context of the structures of the co-crystal formers. It is also shown that both known dithiadiazolyl co-crystals ([PhCN2S2][C6F 5CN2S2] and [PhCN2S 2][NC5F4CN2S2]) can be made via co-sublimation or by mixing co-crystal formers in solution, but not mechanochemically. DSC and theoretical calculations reveal that the thermodynamics of co-crystal formation in these systems is very finely balanced.
Electron Spin Resonance Study of CH3CNSSN, C6H5CNSSN, and SNSSN+ Free Radicals
Fairhurst, Shirley A.,Johnson, Karen M.,Sutcliffe, Leslie H.,Preston, Keith F.,Banister, Arthur J.,et al.
, p. 1465 - 1472 (1986)
Isotropic and powder e.s.r. spectra have been recorded for CH3CNSSN, C6H5CNSSN, and SNSSN+.Isotropic labelling with nitrogen-15 and sulphur-33 has been accomplished for SNSSN+ and it has been possible to prepare 33S15N33S33S15N+.Sulphur-33 satellites have been observed for C6H5CNSSN.MNDO and Gaussian 76 calculations have been used to calculate the minimum-energy structures of the radicals, while INDO calculations have provided values for the hyperfine coupling constants.Unfortunately, poor agreement was obtained between the latter and the corresponding experimental values.All the radicals dimerise in solution at low temperatures and we have been able to measure the energetics of dimerisation for C6H5CNSSN and SNSSN+.The dimers exist as crystalline solids which contain readily detectable amounts of the monomeric free radical.
Single-Crystal Electron-Spin Resonance Study of the 4-Phenyl-1,2,3,5-dithiadiazolyl Radical
Lee, F. L.,Preston, K. F.,Williams, A. J.,Sutcliffe, L. H.,Banister, A. J.,Wait, S. T.
, p. 1161 - 1165 (1989)
Single crystals of 4-phenyl-1,2,3,5-dithiadiazolium trithiatriazinide , prepared by the reduction of S5N5+AlCl4- in SO2 with , contain a trace paramagnetic impurity which is shown by EPR spectroscopy to be the dithiadiazolyl free radical .The g and 14N hyperfine tensors of the radical were deduced from measurements made throughout three mutually orthogonal planes of crystallographically aligned specimens: g = (2.0011, 2.0075, 2.0197); 14N(2) = (37.1, 11.3, 3.4 MHz).Within experimental error, the two nitrogen hyperfine interaction tensors are collinear and have their maximum principal value aligned parallel to gmin and perpendicular to the plane of the host cation.The results are interpreted in terms of a planar ?-radical which substitutes for the planar host cation, and which has considerable unpaired spin density in N(2px) atomic orbitals directed perpendicular to the heterocyclic ring.KEY WORDS - Electron spin resonance Electron paramagnetic resonance Free radical, ?-Radical, Heterocylic free radical g Tensor Hyperfine interaction tensor Nitrogen hyperfine interaction Dithiadiazolyl Dithiadiazolylium Dithiadiazolium Unpaired electron Unpaired electron spin density
Ultraviolet Photoelectron and ESR Studies of 1,2,4,6-Thiatriazinyl and 1,2,3,5-Dithiadiazolyl Radicals
Boere, Rene T.,Oakley, Richard T.,Reed, Robert W.,Westwood, Nicholas P.C.
, p. 1180 - 1185 (2007/10/02)
1,2,4,6-Thiatriazinyl radicals, ., and 1,2,3,5-dithiadiazolyl radicals, . (R = CF3, Cl, Ph), have been generated in the gas phase and studied by He I photoelectron spectroscopy.Thiatriazinyls with R = CF3, Cl, 4-MeOC
