| 摘 要： | The photoinduced bond cleavage and quenching of the α-phenoxylacetophenone excitation states can serve as a template to investigate fundamental photochemical processes. In this work, the absorption and emission spectra as well as the photodecomposition mechanisms of α-phenoxylacetophenone were studied. The density functional theory(DFT) calculations revealed that: 1) the absorption spectra in methanol obtained by the M06-2X functional agree well with those by the B3LYP one; 2) the wavelength of the strongest peak acquired with the B3LYP method is slightly higher than the M06-2X one by 20.07 nm; 3) the βC–C bond in S_1 can be broken directly.
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