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
URL:
http://dx.doi.org/10.1002/mrc.1260260906
Permalink