摘要

Photochemical reaction is one of the most basic, but very important, physical and chemical process, which plays a unique role in many fields. Photochemical reaction is quite difficult to explore theoretically I due to the limit of present computational methods and complication of photochemical reaction processes. This makes it a challenging subject in chemistry and the related fields. The present paper focuses mainly on ab initio studies of excited-state nature and mechanistic photochemistry of carbonyl compounds, which provide some useful information for further investigation of photochemical reactions.