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  • 1
    ISSN: 0749-1581
    Keywords: ESR ; 1,3,2-Dithiazol-2-yl radicals ; Pyrazine ; Quinoxaline ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several symmetrical 1,3,2-dithiazol-2-yl radicals have been examined that have in common nitrogen-containing substituents at the 4- and 5-positions, namely 4,5-dicyano-1,3,2-dithiazol-2-yl, [15N2]-1,3,2-dithiazolo [4,5-b] pyrazin-2-yl and 1,3,2-dithiazoleo [4,5-b] quinoxalin-2-yl. The ESR spectrum of the 4,5-dicyano radical does not reveal any 14N splittings from the cyanide groups; however, the pyrazine and the quinoxaline derivatives do have multi-lined well resolved spectra arising from substantial hyperfine interactions with these nuclei. The interactions are sufficiently large to be observed in the powder spectra of the latter. The presence of proton hyperfine interactions shows that unpaired-electron spin density is delocalized over all the rings. It has been found that the radicals attached to pyrazine and quinoxaline can be incorporated into single crystals of naphthalene and phenazine, respectively.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 26 (1988), S. 755-759 
    ISSN: 0749-1581
    Keywords: ESR ; 1,3,2-Dithiazol-2-yl radicals ; 33S-labelled free radicals ; Energy calculations of conformers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A derivative of the 1,3,2-dithiazol-2-yl radical was labelled with 33S in order to evaluate the p spin densities on the sulphur atoms. This information is required to provide a full description of the SOMO which, in turn, aids the understanding of the structure of the radical dimers. An unexpected result is that the two sulphur atoms are non-equivalent in the solid state. Calculations suggest that this is due to out-of-plane twisting of the substituent groups. Comparison of the ESR parameters of the bis(methoxycarbonyl) derivative with other members of the 1,3,2-dithiazol-2-yl group of radicals (including the parent radical) shows that it is a good model for the whole group.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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