Theoretical study on the relationship between the position of the substituent and the ESIPT fluorescence characteristic of HPIP<xref rid="cpb_29_3_038201fn1" ref-type="fn">*</xref><fn id="cpb_29_3_038201fn1"><label>*</label><p>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).</p></fn>

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^‡

Optimized structures of (a) HPIP, (b) 5′Br-HPIP and, (c) 6′Br-HPIP in S₀ state and S₁ state, with C atoms (black), H atoms (gray), O atoms (red), N atoms (blue), and Br atoms (crimson).