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0142205700
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note
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There may be considerable differences in the geometries of these molecules when they are in their solid state and in solution, especially because of the flexible nature of the appended perester moiety. However, the high quantum yield of O-O bond dissociation suggests that molecules assume appropriate geometries in their triplet states such that the activation energy in causing scission of the O-O bond is minimal. A flat geometry in their triplet states might be imagined in which case triplet energy dissipation may be very facile. Density functional theory (DFT) calculations on some of these molecules are in the process of being carried to obtain information about the structure of their triplet states.
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