摘要

Density functional theory (DFT; OLYP) calculations clearly indicate the I involvement of a cobalt nitrene in cobalt-porphyrin-catalyzed alkene aziridinations, as well as in allylic aminations. The transition state for the cobalt-nitrene-alkene interaction May be described as triradicaloid. A subsequent carbon radical, if it exists at all as an intermediate, collapses in an essentially barrierless manner to the aziridine product.

  • 出版日期2011-6