The Reactivity Of singlet carbenes. An ab initio study

Miquel Moreno, José M. Lluch, Antonio Oliva, Juan Bertrán

Research output: Contribution to journalArticleResearchpeer-review

9 Citations (Scopus)

Abstract

The energy barriers for the addition to ethylene of a series of carbenes have been calculated at an ab initio level. using the STO-3G and 3-21G basis sets. It is shown that the usual extrapolation of experiment results, which predicts that the reactivity of carbenes decreases when increasing its nucleophilic character, is not valid. © 1985.
Original languageEnglish
Pages (from-to)33-37
JournalChemical Physics
Volume100
Issue number1
DOIs
Publication statusPublished - 15 Nov 1985

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