Photodecarbonylation reaction of acrolein at 193nm was investigated by ab initio molecular orbital method.Our result supports photodecarbonylation mechanisms proposed by Fujimoto,and predicts that the reaction should ...Photodecarbonylation reaction of acrolein at 193nm was investigated by ab initio molecular orbital method.Our result supports photodecarbonylation mechanisms proposed by Fujimoto,and predicts that the reaction should occur in ~3ππ potential energy surface prior to the ~1ππ potential energy surface.展开更多
基金Project supported by NSFC a.Department of Modern chemistry,University of Science and Technology of China.
文摘Photodecarbonylation reaction of acrolein at 193nm was investigated by ab initio molecular orbital method.Our result supports photodecarbonylation mechanisms proposed by Fujimoto,and predicts that the reaction should occur in ~3ππ potential energy surface prior to the ~1ππ potential energy surface.
