Effect of terminal donors on the structures and photophysical properties of D–A-π-D small fluorophores

IF 2.2 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of the Iranian Chemical Society Pub Date : 2024-05-11 DOI:10.1007/s13738-024-03035-5

Xue-Lian Li, Qing-Hui Guo, Jia-Han Wu, Xin Chen, Dong-En Wu

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Abstract

In order to investigate the effect of terminal donors on the structures and photophysical properties, four donor (D1)-acceptor (A)-π bridge-donor (D2) prototype fluorophores were synthesized and characterized. Single crystal analysis indicated that changing the types of terminal donors (D2) would give rise to different frontier molecular orbitals and molecular packing modes, leading to their different emission behaviors in solid states. In dilute solution, the four D–A–π-D compounds displayed different absorption and emission behaviors in dilute solution with solvatochromism properties. Assisted by the quantum chemical calculations and wave function analysis, the essence of optical properties of four compounds were explored. The results indicated that changing the types of terminal donors (D2) can affect the structures and photophysical properties of such donor (D1)-acceptor (A)-π bridge-donor (D2) prototype fluorophores, which provided guidance to design new fluorophores.

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末端供体对 D-A-π-D 小荧光团结构和光物理特性的影响

为了研究末端供体对结构和光物理性质的影响，我们合成并表征了四种供体（D1）-受体（A）-π桥-供体（D2）原型荧光团。单晶分析表明，改变末端供体（D2）的类型会产生不同的前沿分子轨道和分子堆积模式，从而导致它们在固态下的不同发射行为。在稀溶液中，四种 D-A-π-D 化合物显示出不同的吸收和发射行为，并具有溶解变色特性。在量子化学计算和波函数分析的辅助下，探究了四种化合物光学性质的本质。结果表明，改变末端供体（D2）的类型会影响这种供体（D1）-受体（A）-π桥-供体（D2）原型荧光团的结构和光物理性质，为设计新型荧光团提供了指导。

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来源期刊

Journal of the Iranian Chemical Society 化学-化学综合

CiteScore

4.40

自引率

8.30%

发文量

230

审稿时长

5.6 months

期刊介绍： JICS is an international journal covering general fields of chemistry. JICS welcomes high quality original papers in English dealing with experimental, theoretical and applied research related to all branches of chemistry. These include the fields of analytical, inorganic, organic and physical chemistry as well as the chemical biology area. Review articles discussing specific areas of chemistry of current chemical or biological importance are also published. JICS ensures visibility of your research results to a worldwide audience in science. You are kindly invited to submit your manuscript to the Editor-in-Chief or Regional Editor. All contributions in the form of original papers or short communications will be peer reviewed and published free of charge after acceptance.