An ab initio study of the reactivity of nitrosoketene with formaldehyde

Sihyun Ham, David M. Birney

Research output: Contribution to journalArticle

28 Scopus citations

Abstract

Ab initio molecular orbital theory (RHF/6-31G*) was used to locate pseudopericyclic transition structures for the cycloaddition of formaldehyde to the Z and E conformations of nitrosoketene. The [3+2] pathway, with a calculated activation energy of only 3.5 kcal/mol, is predicted to be significantly favored over the [4+2] alternative.

Original languageEnglish
Pages (from-to)8113-8116
Number of pages4
JournalTetrahedron Letters
Volume35
Issue number44
DOIs
StatePublished - Oct 31 1994

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