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

页数：9

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