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Pyridyl substitution control dynamics and shape dependence of fluorescent aggregates
Journal of Photochemistry and Photobiology A: Chemistry ( IF 4.1 ) Pub Date : 2020-01-21 , DOI: 10.1016/j.jphotochem.2020.112405
Ila , Ashim Malakar , Abhijit Gogoi , K. Anki Reddy , Manishekhar Kumar , Biman B. Mandal , G. Krishnamoorthy

Nitrogen substitution on 2-(2′-hydroxyphenyl)benzimidazole (HPBI) showed impressive changes in photophysical properties. Hence, in this work, we investigated the effect of pyridyl substitution on HPBI on the kinetics and the shape of the aggregates. It was found that the presence and the position of the heteroatom strongly influence the aggregation. 2-(2'-Hydroxyphenyl)-3H-imidazo[4,5-c]pyridine (HPIP-c) forms small rods and 2-(2'-hydroxyphenyl)-3H-imidazo[4,5-b]pyridine (HPIP-b) produces long needle like structures. The normal emissions of both the molecules were also enhanced along with tautomer emission. In addition, molecular dynamics simulations were performed to monitor the aggregation process. The aggregation was elucidated in term of electrostatic interaction, van der Waals interaction and hydrogen bonding.



中文翻译:

吡啶基取代控制动力学和荧光聚集体的形状依赖性

2-(2'-羟苯基)苯并咪唑(HPBI)上的氮取代显示出光物​​理性质的显着变化。因此,在这项工作中,我们研究了吡啶基取代对HPBI的动力学和聚集体形状的影响。发现杂原子的存在和位置强烈影响聚集。2-(2 ' -羟基苯基)-3 ħ -咪唑并[4,5- Ç ]吡啶(HPIP-c)构成小棒和2-(2- ' -羟基苯基)-3 ħ -咪唑并[4,5- b]吡啶(HPIP-b)产生长针状结构。两个分子的正常发射也随着互变异构体发射而增强。另外,进行了分子动力学模拟以监测聚集过程。从静电相互作用,范德华相互作用和氢键方面阐明了聚集。

更新日期:2020-01-21
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