Ultrafast asynchronous concerted excited-state intramolecular proton transfer and photodecarboxylation of o-acetylphenylacetic acid explored by combined CASPT2 and CASSCF studies.
Photodecarboxylation was found to be an ultrafast process for o-acetylphenylacetic acid, which is triggered by excited-state intramolecular proton transfer. The reaction starts from the charge-transfer pipi* singlet state and passes through the conical intersection to the ground state. Subsequent electron transfer and proton transfer in the ground state lead to formation of the final products. This represents a completely new mechanism of photoinduced decarboxylation for various arylcarboxylic acids.
Ding
Lina
L
College of Chemistry, Beijing Normal University, Xin-wai-da-jie 19#, Beijing 100875, People's Republic of China.
Chen
Xuebo
X
Fang
Wei-Hai
WH
D000085:Acetates / Q000737:chemistry*; D008956:Models, Chemical; D015394:Molecular Structure; D010777:Photochemistry; D011522:Protons
D000085:Acetates; D011522:Protons