Theoretical study on the relationship between the position of the substituent and the ESIPT fluorescence characteristic of HPIP*

Project supported by the National Natural Science Foundation of China (Grant Nos. 11874180 and 11704146) and the Program of Science and Technology Development Plan of Jilin Province, China (Grant Nos. 20190201138TC and 20190103101JH).

Zhang Xin, Han Jian-Hui, Li You, Sun Chao-Fan, Su Xing, Shi Ying, Yin Hang
       

Calculated IR spectra of (a) HPIP, (b) 6′Br-HPIP, and (c) 5′Br-HPIP in different electronic states. Blue and red lines stand for S0 state and S1 state, respectively.