The intersystem crossings in glyoxal

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Abstract
The mechanisms of the intersystem crossing processes of glyoxal have been investigated through the microwave induced delayed phosphorescence (MIDP) experiment, the measurements of the phosphorescence quantum yield and lifetimes, and numerical calculations of the electronic parts of the coupling matrix elements. It is suggested that the second-order mechanisms explain the observed results satisfactorily for 1 Au (n, π*) →3 Au (n, π*) and 3 Au (n, π*) →1 Ag processes. The numerical calculation also suggest that the C=O stretching and the C-C=O bending vibrations are more effective than the other in-plane vibrations for the radiationless processes in glyoxal.