Insights into the influence of hydrogen bonding interactions and proton-transfer behaviours in excited state of DNHBO fluorophore: solvent effects

被引：0
|
作者：
Li, Ao [1 ,2 ]
Fang, Changfeng [1 ]
Li, Zhiqiang [1 ,4 ]
Hou, Mengmeng [3 ]
Zhao, Jinfeng [3 ]
Fan, Liming [3 ]
机构：
[1] Shandong Univ, Ctr Opt & Res Engineer, Key Lab Laser & Infrared Syst, Minist Educ, Qingdao, Peoples R China
[2] Henan Inst Sci & Technol, Sch Chem & Chem Engn, Xinxiang, Peoples R China
[3] Shenyang Normal Univ, Coll Phys Sci & Technol, Shenyang 110034, Peoples R China
[4] Shandong Univ, Ctr Opt & Res Engineer, Key Lab Laser & Infrared Syst, Minist Educ, Qingdao 266235, Peoples R China
来源：
MOLECULAR PHYSICS | 2024年 / 122卷 / 11期
关键词：
Excited state intramolecular proton transfer; solvent polarity; photo-induced charge redistribution; intramolecular hydrogen bond; potential energy curve; DENSITY-FUNCTIONAL THEORY; THEORETICAL INSIGHTS; TRANSFER MECHANISMS; ESIPT MECHANISM; THERMOCHEMISTRY; CONTINUUM; DYNAMICS;
D O I：
10.1080/00268976.2023.2288700
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Inspired by designing distinguished optical materials, novel organic molecules with ESIPT characteristics have become the hot topic in current research. Dual-m-N,N-dimethylaniline substituted HBO derivative (DNHBO), as a kind of new dual solid-state and solution-state emission (DSSE) emitter, is focused on its excited state dynamics theoretically in this work. Considering four aprotic solvents with different polarities, the solvent-polarity-regulated photo-induced hydrogen bonding interactions and associated ESIPT behaviours are confirmed. Briefly speaking, via comparing and metering the magnitudes of excited-state reaction barriers in different solvents, we claim that nonpolar solvents drive the ESIPT reaction for DNHBO fluorophore.
引用
收藏
页数：9
相关论文
共 50 条
12345