THEORETICAL STUDY ON PHOTODECARBONYLATION REACTION OF ACROLEIN

摘要

Photodecarbonylation reaction of acrolein at 193nm was investigated by abinitio molecular orbital method.Our result supports photodecarbonylation mechanismsproposed by Fujimoto,and predicts that the reaction should occur in ~3ππ potentialenergy surface prior to the ~1ππ potential energy surface.