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- W2040257864 abstract "The mechanism of light-induced transformation in the salicylideneaniline molecule was studied by semiempirical PM3 calculations. The structures and energies of the minima and saddle points (transition states) on the S0, S1 and T1 potential energy hypersurfaces (PESs) were obtained, together with the gradient lines on the PESs. The structure-energy scheme was compared with the experimental findings. According to the results obtained, the following principle processes are observed: fast S1 excited state intramolecular proton transfer (ESIPT), followed by typical ESIPT fluorescence; the formation of two S1 twisted intramolecular charge transfer (TICT) structures which quench the ESIPT fluorescence; the diabatic formation of two ground state metastable coloured “post-TICT” structures responsible for photochromism." @default.
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- W2040257864 date "1997-11-01" @default.
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- W2040257864 title "Role of structural flexibility in the fluorescence and photochromism of salicylideneaniline: the general scheme of the phototransformations" @default.
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- W2040257864 doi "https://doi.org/10.1016/s1010-6030(97)00196-2" @default.
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