Analysis of an intermediate in a 1,3-dipolar cycloaddition of methylsulfonyl azide |
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Authors: | Reiner Sustmann Willi Sicking Helmut Quast |
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Abstract: | MNDO-PM3 calculations, carried out on an experimentally determined structure of an intermediate in the cycloaddition of an electrophilic azide and a nucleophilic 1,3-dipolarophile, show that the semiempirical MO scheme models this structure closely. Transition structures for formation of the intermediate and ring closure of the latter are described. |
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