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ESR spectroscopic investigation of some 4‐substituted 1,3,2‐dithiazolyl and 2,3,1‐dithiazolyl radicals
Author(s) -
Chung YuenLi,
Fairhurst Shirley A.,
Gillies Duncan G.,
Preston Keith F.,
Sutcliffe Leslie H.
Publication year - 1992
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260300717
Subject(s) - radical , chemistry , ring (chemistry) , unpaired electron , photodissociation , spin density , electron paramagnetic resonance , photochemistry , crystallography , atom (system on chip) , nuclear magnetic resonance , organic chemistry , physics , computer science , embedded system , condensed matter physics
Further information has been obtained on the electronic structure of 1,3,2‐dithiazol‐2‐yl radicals. The structure has been well characterized previously except for positions 4 and 5 in thering. We have obtained solution and powder ESR spectra of radicals substituted with 13 C in both positions and of radicals substituted with nitrogen or phosphorus in the 4‐position. It is probably the first time that a compound has been prepared containing thering. Two especially interesting facts emerged from the ESR spectra of these 1,3,2‐dithiazolyl radicals: the 13 C‐substituted radical has a considerable amount of p spin density in the plane of the ring and the phosphorussubstituted radical has a very low unpaired spin density at the phosphorus atom. It is known that 1,3,2,4‐dithiadiazolyl radicals isomerize readily by photolysis to the symmetrical 2,3,1,4‐dithiadiazolyl radicals; we attempted the same reaction with Bu tand a new radical was produced that we have been unable to identify.