The results of AMI molecular orbital calculations on two series of arylmethylsulfonium salt derivatives have indicated that the nature of the lowest unoccupied molecular orbital (LUMO) switches from * when aryl = phenyl, 1-naphthyl, and 9-anthryl to * when aryl = 5-naphthacenyl. Electrochemical, photochemical, fluorescence quantum yield, and singlet-lifetime data were found to support the conclusions from the calculations.
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