5-Azahexenoyl radicals cyclize via nucleophilic addition to the acyl carbon rather than 5-exo homolytic addition at the imine

Chantal T. Falzon, Ilhyong Ryu, Carl H. Schiesser

研究成果: Article同行評審

36 引文 斯高帕斯(Scopus)

摘要

Molecular orbital calculations predict that the 5-azahexenoyl radical ring closes via nucleophilic addition to the acyl carbon to afford the 5-exo product; CCSD(T)/cc-pVDZ//BHLYP/cc-pVDZ calculations predict energy barriers of 36.1 and 46.9 kJ mol-1 for the exo and endo cyclization modes of the 5-azahexenoyl radical, respectively.

原文English
頁(從 - 到)2338-2339
頁數2
期刊Chemical Communications
20
DOIs
出版狀態Published - 1 一月 2002

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