An article Theoretical Studies on the Fluorescence Enhancement of Benzaldehydes by Intermolecular Hydrogen Bonding WOS:000457816300012 published article about PICOSECOND LASER PHOTOLYSIS; PROTON-TRANSFER ESIPT; ELECTRON-TRANSFER; RADIATIONLESS DEACTIVATION; MOLECULAR-MECHANISM; STATE; RELAXATION; DYNAMICS; PHOTOPHYSICS; FLUORENONE in [Su, Yan; Li, Keyao; Yu, Xueke] Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Electron & Ion Beams, Dalian 116024, Peoples R China in 2019.0, Cited 38.0. Recommanded Product: 93-02-7. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7
Density functional theory and its time-dependent extension are employed to investigate the intermolecular hydrogen-bonding- (Inter-HB-) induced fluorescence enhancement of benzaldehydes. The fluorescence quenching mechanism of benzaldehydes in chloroform is attributed to the low energy gap between the lowest pi pi* and n pi* states at Franck-Condon (FC) point and conical interaction between pi pi** and n pi* states. The Inter-HB between the aldehyde group of benzaldehydes and methanol can considerably increase the energy gap between pi pi* and n pi* states at the FC point, and this type of hydrogen bond is strengthened in the excited pi pi* state, thereby precluding the nonradiative transition from n pi* state and enhancing fluorescence. The Inter-HB between the hydroxy group of benzaldehydes and methanol is considerably stronger than that between the aldehyde group of benzaldehydes and methanol; which has a little effect on the energy gap of pi pi* and n pi* states. Therefore, if Inter-HB exists between the hydroxy group of benzaldehydes and methanol, then it will play an important role in ground and excited pi pi* states, and fluorescence enhancement by Inter-HB between the aldehyde group of benzaldehydes and methanol will be absent. Our proposed mechanism can explain the experimental observations and differs from that of proximity effects.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com