荧光吲哚咔唑:CF3COOH的光物理性质、DFT研究和选择性检测

IF 4 2区 化学 Q2 CHEMISTRY, PHYSICAL
Yu Dong , Pan Liu , Xiao-Ling Zhou , Qin-Qin Yang , Xiang Yu Xiao , Jing-Hao Yu , Zhi-Chuan Shi , Guo-Wei Deng , Bing He
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引用次数: 0

摘要

由于吲哚咔唑类支架在药物化学、光电子材料和发色团中的广泛应用,近年来,含有吲哚咔唑基序的分子引起了人们的广泛关注。本文研究了在无配体条件下,钴催化双吲哚萘醌分子内氧化环化合成吲哚咔唑的方法。对合成产物的光物理性质进行了评价,并显示出有趣的荧光特性,这是一种很有前途的荧光探针。与其他酸相比,每种化合物在加入CF3COOH后都显示出比色响应,比色传感器甚至更好,因为信号事件可以通过肉眼本身检测到。密度泛函理论(DFT)计算有助于估计合成化合物的量子化学反应性参数,包括电子结构和反应性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Fluorescent indolocarbazoles: Photophysical properties, DFT studies and selective detection of CF3COOH

Fluorescent indolocarbazoles: Photophysical properties, DFT studies and selective detection of CF3COOH
The molecules containing the indolocarbazoles motif have attracted significant attention over the years, owing to the diverse implication of indolocarbazoles scaffolds in medicinal chemistry, photoelectronic materials and chromophores. In this work, the cobalt-catalyzed intramolecular oxidative cyclization of bi-indolnaphthoquinones under ligand-free conditions for the synthesis of indolocarbazoles has been developed. The synthesized products were evaluated on the photophysical properties and exhibited interesting fluorescence properties, which is promising for fluorescent probes. Each compound showed a colorimetric response upon addition of CF3COOH in contrast to other acids and the colorimetric sensors are even better, as the signaling event can be detected by the naked eye itself. Performed density functional theory (DFT) calculation helped to estimate quantum chemical reactivity parameters including electronic structure and reactivity of the synthesized compounds.
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来源期刊
Journal of Molecular Structure
Journal of Molecular Structure 化学-物理化学
CiteScore
7.10
自引率
15.80%
发文量
2384
审稿时长
45 days
期刊介绍: The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.
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