Abstract
Abstract The excited-state intramolecular-proton-transfer of o-hydroxybenzaldehyde and its derivatives (o-formyl-substituted phenols) was studied by means of an ab initio molecular-orbital method. The computational results are consistent with the experimental fluorescence quantum yield and support the nodal-plane model. The energy difference between the ground state and the lowest excited 1(π,π*) state decreases as the electron-withdrawing property of a substituent bonded to the carbonyl carbon of o-hydroxybenzaldehyde becomes stronger. However, the substituent effect does not largely distort the potential energy surface of o-formyl-substituted phenols.
Published Version
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