A novel non-fluorescent excited state intramolecular proton transfer phenomenon induced by intramolecular hydrogen bonds: an experimental and theoretical investigation

作者：Yin, Hang; Li, Hui; Xia, Guomin; Ruan, Chengyan; Shi, Ying^*; Wang, Hongming^*; Jin, Mingxing; Ding, Dajun^*

来源：Scientific Reports, 2016, 6(1): 19774.

DOI：10.1038/srep19774

• DENSITY-FUNCTIONAL THEORY
• TRANSFER ESIPT
• FLUORESCENT-PROBES
• TD-DFT
• PHOTOCHEMISTRY
• APPROXIMATIONS
• PHOTOPHYSICS
• SPECTROSCOPY
• DERIVATIVES
• DYNAMICS

were explored. We investigated their photophysical properties, using experimental transient absorption and theoretical density functional theory/time-dependent density functional theory (DFT/TDDFT). HP and MP have similar geometric conformations but exhibit entirely different photophysical properties upon excitation into the S-1 state. In contrast to traditional excited state intramolecular proton transfer (ESIPT) in molecules that exhibit either single or dual fluorescence, HP has an unusual non-fluorescent property. Specifically, the ultrafast ESIPT process occurs in 158 fs and is followed by an intersystem crossing (ISC) component of 11.38 ps. In contrast to HP, MP undergoes only an 8 ps timescale process, which was attributed to interactions between solute and solvent. We concluded that this difference arises from intramolecular hydrogen bonds (IMHBs), which induce drastic structural alterntion upon excitation.

• 出版日期2016-1-21
• 单位吉林大学; 南昌大学