Potential energy surfaces for ultrafast photochemistry: Short chain polyenes and Protonated Schiff Bases

Abstract

The minimum energy paths (MEP) for the photochemical processes involving short chain linear protonated Schiff bases (PSB) and short chain polyenes have been computed. The results show that the photochemistry of the studied PSB and polyenes is driven by different S1 excited states (ionic 1Bu-like and covalent 2Ag respectively). The structures of the corresponding energy surfaces rationalise the observed ultrafast photochemistry and dynamics.