A theoretical study of imine-ene reaction influencing factors.

Abstract

Potential energy surfaces of the imine-ene reaction between methanimine and propene have been calculated using restricted and unrestricted density functional theory at the B3LYP level. The results show that a concerted mechanism with an exo configuration for lone pair electrons transition structure is more favourable for the intermolecular bare imine-ene… (More)
DOI: 10.1039/c1ob05493g

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