Reinvestigation of photoinduced intramolecular charge transfer reaction in p-Dimethylaminobenzaldehyde by spectroscopic method and Density Functional Theory (DFT) calculation

► Reinvestigation of excited state charge transfer reaction in p-Dimethylaminobenzaldehyde. ► Resolved the previously reported ambiguity of CT band characteristic. ► Theoretical calculation of CT process based on DFT, TDDFT and TDDFT-PCM models. ► Theoretical findings well support experimental results.